SCHEMBL419231

SCHEMBL419231

COc1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TP53 P04637 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
XDH P47989 1/20 0.51
SLC6A3 Q01959 1/20 0.50
APP P05067 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL24106783 0.83 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2TP53PTPRC
SCHEMBL6048312 0.83 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL1772629 0.82 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL294721 0.82 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2TP53PTPRC
SCHEMBL30136447 0.82 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2TP53PTPRC
SCHEMBL12686368 0.81 TP53 (0.52) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL27669651 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL1704521 0.81 ABL1 (0.62) SMN1; SMN2PTPRCPTPN1XDHAPP
SCHEMBL4425113 0.81 SYK (0.56) NPC1RAB9ASMN1; SMN2PTPRCPTPN1
SCHEMBL5690752 0.81 SQOR (0.55) NPC1RAB9ASMN1; SMN2TP53PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109821558-A A kind of synthetic method for treating breast cancer medicines arzoxifene intermediate 马建 2019-05-31 CN claimed
WO-2025028365-A1 PHOTOCHROMIC COMPOUND, PHENOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2025-02-06 WO disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-2086995-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 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 (5 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 NPC1 1434/4885RAB9A 2816/4885SMN1; SMN2 4397/4885
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 NPC1 3019/4885RAB9A 1540/4885SMN1; SMN2 3930/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 NPC1 3019/4885RAB9A 1540/4885SMN1; SMN2 3930/4885
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL NPC1 167/4885RAB9A 1854/4885SMN1; SMN2 4675/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 NPC1 2374/4885RAB9A 2034/4885SMN1; SMN2 4154/4885

“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.