SCHEMBL830046

SCHEMBL830046

Brc1ccc(-c2ccc(-c3cccnc3)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.45
CYP2A6 P11509 3/20 0.44
USP8 P40818 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PTK2 Q05397 1/20 0.43
PTGS2 P35354 1/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL7220134 0.87 CYP19A1 (0.54) CYP19A1KDM4ECYP11B1MAPTALDH1A1
SCHEMBL834263 0.85 CYP19A1 (0.54) CYP19A1KDM4EMAPTALDH1A1KMT2A
SCHEMBL834528 0.85 CYP2A6 (0.44) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL10112350 0.84 CYP19A1 (0.52) CYP19A1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL10112352 0.84 CYP19A1 (0.52) CYP19A1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL834907 0.83 ERBB2 (0.36) CYP19A1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL4901123 0.82 ALDH1A1 (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL829767 0.81 RAB9A (0.50) KDM4ETDP1MAPTALDH1A1KMT2A
SCHEMBL829721 0.76 MEN1 (0.45) CYP19A1KDM4EMAPTALDH1A1POLB
SCHEMBL10112372 0.76 NPC1 (0.47) CYP19A1KDM4ETDP1CYP11B1CYP11B2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (2 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 CYP19A1 220/4885KDM4E 2282/4885TDP1 3101/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 CYP19A1 290/4885KDM4E 2122/4885TDP1 2950/4885

“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.