SCHEMBL1829968

SCHEMBL1829968

COc1ccc(Br)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.44
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TUBB1 Q9H4B7 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL147312 0.86 TUBB1 (0.46) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL2431072 0.86 TUBB1 (0.42) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL1635785 0.84 ACHE (0.52) KDM4EACHEALDH1A1MEN1KMT2A
SCHEMBL29793327 0.84 ACHE (0.52) KDM4EACHEALDH1A1MEN1KMT2A
SCHEMBL8071106 0.83 NQO2 (0.43) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL8762135 0.83 NQO2 (0.43) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL548104 0.83 KDM4E (0.48) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL12533732 0.79 NQO2 (0.41) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL2112642 0.79 MAPT (0.45) NQO2ERN1KDM4EACHEALDH1A1
SCHEMBL29869611 0.79 MAPT (0.45) NQO2ERN1KDM4EACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-3507275-A1 CXCR3 RECEPTOR AGONISTS Celgene International II Sarl (CH) 2019-07-10 EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
CN-1878466-A Biphenyl derivative or salt thereof, pest control agent containing the same as active ingredient ISHIHARA SANGYO KAISHA (JP) 2006-12-13 CN disclosed
EP-1681924-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-26 EP disclosed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 WO disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 US disclosed
WO-2005044007-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-05-19 WO disclosed
US-20050043556-A1 2,2'-Bis(triphenylphosphino)biphenyls complexed with a transition metal-diamine complex; highly active and selective hydrogenation catalysts for the hydrogenation of ketones and imines to alcohols and amines, respectively, used as drug intermediates often required in single isomer form; very low loading MALAN CHRISTOPHE GUILLAUME (CH) 2005-02-24 US disclosed
EP-1458731-A1 CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS Chirotech Technology Limited (GB) 2004-09-22 EP disclosed
WO-2003048173-A1 CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS CHIROTECH TECHNOLOGY LIMITED (GB) 2003-06-12 WO disclosed
EP-0336123-A2 New chiral phosphinopyrrolidine compounds and their use for asymmetric synthesis of optically active compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1989-10-11 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 (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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC NQO2 1202/4885ERN1 238/4885KDM4E 2747/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 NQO2 1609/4885ERN1 4063/4885KDM4E 4161/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR NQO2 2670/4885ERN1 4696/4885KDM4E 1610/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 NQO2 1609/4885ERN1 4063/4885KDM4E 4161/4885
US-20050043556-A1 2,2'-Bis(triphenylphosphino)biphenyls complexed with a transition metal-diamine complex; highly active and selective hydrogenation catalysts for the hydrogenation of ketones and imines to alcohols and amines, respectively, used as drug intermediates often required in single isomer form; very low loading ADH5, ADH1A, ADH1C NQO2 2654/4885ERN1 2001/4885KDM4E 306/4885

“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.