SCHEMBL796957

SCHEMBL796957

CC(=O)Nc1ccc(Br)cc1C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
HTT P42858 1/20 0.55
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 5/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MAOA P21397 1/20 0.45
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL111313 0.87 ALDH1A1 (0.76) ALDH1A1HTTKDM4EHSD17B10POLB
SCHEMBL26170005 0.86 ALDH1A1 (0.69) ALDH1A1HTTRAB9ANPC1KDM4E
SCHEMBL5899451 0.84 ALDH1A1 (0.67) ALDH1A1HTTRAB9ANPC1KDM4E
SCHEMBL3329219 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMAPTALOX15
SCHEMBL28530907 0.83 ALDH1A1 (0.51) ALDH1A1HTTRAB9AKDM4EPOLB
SCHEMBL16795364 0.83 ALDH1A1 (0.65) ALDH1A1HTTRAB9ANPC1KDM4E
SCHEMBL30041727 0.83 ALDH1A1 (0.65) ALDH1A1HTTRAB9ANPC1KDM4E
SCHEMBL1284518 0.82 ALDH1A1 (0.64) ALDH1A1HTTRAB9ANPC1KDM4E
SCHEMBL31236186 0.81 ALDH1A1 (0.62) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL31236185 0.81 ALDH1A1 (0.62) ALDH1A1HTTRAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed
EP-2252293-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2018-06-27 EP disclosed
EP-2736886-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
EP-2736886-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 CN disclosed
CN-103124731-B Fused heteroaryl compounds and uses thereof HUTCHISON MEDIPHARMA LTD. (CN) 2016-01-20 CN disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 US disclosed
EP-2125822-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-12-02 EP disclosed
CN-101563351-A Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-21 CN disclosed
WO-2009114870-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 WO disclosed
WO-2008074788-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 3292/4885HTT 4817/4885RAB9A 2116/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 3292/4885HTT 4817/4885RAB9A 2116/4885
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3110/4885HTT 4487/4885RAB9A 625/4885

“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.