SCHEMBL459784

SCHEMBL459784

ClC(=NN=C(Cl)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CES1 P23141 4/20 0.41
CES2 O00748 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HIF1A Q16665 2/20 0.39
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
GSK3B P49841 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
DEPTOR Q8TB45 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL459783 1.00 ATM (0.42) ATMCES1CES2ALDH1A1TSHR
SCHEMBL2744683 0.86 MAPT (0.43) CES1CES2ALDH1A1MAPK1CYP3A4
SCHEMBL10111192 0.86 MAPT (0.43) CES1CES2ALDH1A1MAPK1CYP3A4
SCHEMBL28334658 0.85 ATM (0.37) ATMCES1CES2ALDH1A1TSHR
SCHEMBL18992194 0.84 TDP1 (0.43) ATMCES1CES2ALDH1A1TSHR
SCHEMBL17069889 0.84 ALDH1A1 (0.33) ATMALDH1A1TSHRDAONAPRT
SCHEMBL18992193 0.84 TDP1 (0.43) ATMCES1CES2ALDH1A1TSHR
SCHEMBL18257007 0.82 ALDH1A1 (0.39) ATMCES1CES2ALDH1A1TSHR
SCHEMBL15205392 0.81 NPC1 (0.42) ATMALDH1A1HIF1ACYP3A4CYP2C19
SCHEMBL21096577 0.81 ATM (0.39) ATMCES1CES2ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-09-29 US disclosed
CN-110724124-A Triazole derivatives 株式会社半导体能源研究所 2020-01-24 CN disclosed
US-10424745-B2 Organometallic complex, light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-09-24 US disclosed
US-10115910-B2 Organic electroluminescent material, organic electroluminescent device and quantum dot electroluminescent unit HANNSTAR DISPLAY (NANJING) CORPORATION (CN) 2018-10-30 US disclosed
US-20180212164-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-07-26 US disclosed
EP-2496591-B1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2018-05-30 EP disclosed
US-20160293857-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE AND QUANTUM DOT ELECTROLUMINESCENT UNIT HANNSTAR DISPLAY (NANJING) CORPORATION (CN) 2016-10-06 US disclosed
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2016-09-15 US disclosed
US-9397299-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-07-19 US disclosed
US-20150287936-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-10-08 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20110198988-A1 ORGANOMETALLIC COMPLEX AND LIGHT-EMITTING ELEMENT, LIGHTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE ORGANOMETALLIC COMPLEX SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-18 US disclosed
US-20110101854-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-05-05 US disclosed
WO-2011052516-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-05-05 WO disclosed
EP-2229382-A1 TRIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE Semiconductor Energy Laboratory Co, Ltd. (JP) 2010-09-22 EP disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
WO-2009081718-A1 TRIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-02 WO disclosed
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-25 US disclosed
WO-2008143019-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-27 WO disclosed
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10115910-B2 Organic electroluminescent material, organic electroluminescent device and quantum dot electroluminescent unit RPS3, RPS19, ORC3 ATM 1918/4885CES1 4113/4885CES2 2914/4885
US-10424745-B2 Organometallic complex, light-emitting element, display device, electronic device, and lighting device GRK1, CDKL1, ARL1 ATM 1308/4885CES1 2468/4885CES2 2136/4885
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device GRIN3A, TEAD2, TBL3 ATM 2094/4885CES1 3182/4885CES2 276/4885
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE TYR, TH, YEATS4 ATM 2060/4885CES1 1999/4885CES2 1293/4885
US-20110198988-A1 ORGANOMETALLIC COMPLEX AND LIGHT-EMITTING ELEMENT, LIGHTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE ORGANOMETALLIC COMPLEX INTS9, MCM4, INTS6 ATM 3333/4885CES1 2907/4885CES2 2116/4885
US-20110101854-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 ATM 1308/4885CES1 2468/4885CES2 2136/4885
US-20150287936-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 ATM 1308/4885CES1 2468/4885CES2 2136/4885
US-20180212164-A1 Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device GRK1, CDKL1, ARL1 ATM 1308/4885CES1 2468/4885CES2 2136/4885
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative TYR, TH, YEATS4 ATM 2060/4885CES1 1999/4885CES2 1293/4885
US-20160293857-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE AND QUANTUM DOT ELECTROLUMINESCENT UNIT RPS3, RPS19, ORC3 ATM 1918/4885CES1 4113/4885CES2 2914/4885
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 ATM 1030/4885CES1 2506/4885CES2 2669/4885
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative TYR, TH, CYP3A4 ATM 2187/4885CES1 1593/4885CES2 1294/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.