SCHEMBL6572023

SCHEMBL6572023

COc1ccc(Br)c(OC)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
APOBEC3A P31941 1/20 0.56
HTT P42858 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL4599128 0.84 MEN1 (0.47) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL1323122 0.84 CA12 (0.55) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL12593466 0.84 CA9 (0.46) TSHRAPOBEC3AHTTAPOBEC3GMEN1
SCHEMBL11521097 0.82 TSHR (0.44) TSHRAPOBEC3AHTTAPOBEC3GTDP1
Hydrochloric Acid SCHEMBL9550013 0.81 TSHR (0.63) TSHRAPOBEC3AHTTAPOBEC3GPOLB
SCHEMBL14720035 0.81 TSHR (0.46) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL2172500 0.80 ERN1 (0.54) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL15263986 0.80 KDM4E (0.53) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL20662812 0.79 KDM4E (0.58) TSHRAPOBEC3AHTTAPOBEC3GKDM4E
SCHEMBL19878220 0.79 L3MBTL1 (0.47) TSHRAPOBEC3AHTTAPOBEC3GKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
US-5006533-A Neuroleptic agents, side effect reduction BOEHRINGER INGELHEIM GMBH (DE) 1991-04-09 US disclosed
US-5006533-A Neuroleptic agents, side effect reduction BOEHRINGER INGELHEIM GMBH (DE) 1991-04-09 US disclosed
US-5006533-A Neuroleptic agents, side effect reduction BOEHRINGER INGELHEIM GMBH (DE) 1991-04-09 US disclosed
EP-0258800-A3 3-BROMO-2,6-DIMETHOXYBENZAMIDES, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1989-08-16 EP disclosed
EP-0258800-A2 3-Bromo-2,6-dimethoxybenzamides, their preparation and use BOEHRINGER INGELHEIM KG (DE) 1988-03-09 EP disclosed
EP-0258800-A2 3-Bromo-2,6-dimethoxybenzamides, their preparation and use BOEHRINGER INGELHEIM KG (DE) 1988-03-09 EP 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 (1 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK TSHR 4253/4885APOBEC3A 1483/4885HTT 3091/4885

“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.