SCHEMBL17109684

SCHEMBL17109684

CN1c2ccccc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.56
▸ NOX1 Q9Y5S8 8/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 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
SCHEMBL17109674 0.95 NOX1 (0.47) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL17109677 0.95 NOX1 (0.50) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL12259323 0.94 NOX1 (0.48) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL25026545 0.93 MAOA (0.58) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL17109687 0.89 NOX1 (0.50) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL17265855 0.85 L3MBTL1 (0.41) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL17109683 0.85 NOX1 (0.46) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL18595614 0.85 NOX1 (0.46) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL17109686 0.84 NOX1 (0.43) MAOANOX1L3MBTL1MEN1ADRA2A
SCHEMBL12259322 0.82 KDM4E (0.50) MAOANOX1L3MBTL1MEN1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 — — US disclosed
US-9590190-B2 Terminally activated delayed fluorescence material, a method of synthesizing the same and an OLED device using the same SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2017-03-07 — — US disclosed
US-9590190-B2 Terminally activated delayed fluorescence material, a method of synthesizing the same and an OLED device using the same SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2017-03-07 — — US disclosed
US-20150270494-A1 Terminally Activated Delayed Fluorescence Material, A Method Of Synthesizing The Same and An OLED Device Using The Same Shenzhen China Star Optoelectronics Technology Co. Ltd. (CN) 2015-09-24 — — US disclosed
US-20150270494-A1 Terminally Activated Delayed Fluorescence Material, A Method Of Synthesizing The Same and An OLED Device Using The Same Shenzhen China Star Optoelectronics Technology Co. Ltd. (CN) 2015-09-24 — — 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 (3 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 MAOA 175/4885NOX1 521/4885L3MBTL1 206/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 MAOA 142/4885NOX1 311/4885L3MBTL1 24/4885
US-20150270494-A1 Terminally Activated Delayed Fluorescence Material, A Method Of Synthesizing The Same and An OLED Device Using The Same OCIAD1, OCIAD2, OGFOD1 MAOA 153/4885NOX1 901/4885L3MBTL1 1887/4885

“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.

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