SCHEMBL52685

SCHEMBL52685

Nc1noc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
MAOB P27338 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
IDO1 P14902 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KDR P35968 2/20 0.43
FLT3 P36888 2/20 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
SCHEMBL29518984 1.00 CA12 (0.48) CA12CA1CA2LMNACA3
SCHEMBL29940757 0.83 KDM4E (0.48) CA12CA1CA2LMNACA3
SCHEMBL28906146 0.83 KDM4E (0.48) CA12CA1CA2LMNACA3
SCHEMBL2441217 0.76 FAAH (0.45) CA12CA1CA2LMNACA3
SCHEMBL8103815 0.73 CA12 (0.46) CA12CA1CA2LMNACA3
SCHEMBL4930668 0.73 CA12 (0.46) CA12CA1CA2LMNACA3
SCHEMBL8358457 0.73 NPC1 (0.45) CA2IDO1ESR1ESR2KDM4E
SCHEMBL15922141 0.73 F9 (0.43) CA12CA1CA9IDO1ESR1
SCHEMBL210393 0.71 HIF1A (0.47) CA12CA1CA2LMNACA3
SCHEMBL468359 0.71 ESR1 (0.53) CA12CA1CA2LMNACA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP claimed
US-11427591-B2 Kinase inhibitors INSILICO MEDICINE IP LIMITED (HK) 2022-08-30 US claimed
US-20200035418-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES 2020-01-30 US claimed
WO-2018152494-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES (US) 2018-08-23 WO claimed
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
EP-1451163-B1 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM CO LTD (KR) 2010-02-17 EP claimed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US claimed
US-7291638-B2 3-amido-1,2-benzoisoxazole derivatives, process for preparation, and use thereof DONGWHA PHARM. IND. CO., LTD. (KR) 2007-11-06 US claimed
US-20050020650-A1 3-amido-1,2-benzoisoxazole derivatives, process for preparation, and use thereof DONG WHA PHARM. CO., LTD. (KR) 2005-01-27 US claimed
EP-1135023-A4 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF LILLY CO ELI (US) 2003-03-05 EP claimed
EP-1135023-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2001-09-26 EP claimed
US-6150390-A ACCELERATES BONE FORMATION; OSTEOPOROSIS; (LTB-4(LEUKOTRIENE-B-4; 5,12-DIHYDROXYEICOSATETRA-6,8,10,14-ENOIC ACID) RECEPTOR ANTAGONIST DONG WHA PHARM. IND. CO., LTD. (KR) 2000-11-21 US claimed
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 EP claimed
EP-1019384-A1 3-AMINO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2000-07-19 EP claimed
WO-2000027199-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2000-05-18 WO claimed
WO-1998033779-A1 3-AMINO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM. IND. CO., LTD. (KR) 1998-08-06 WO claimed
US-4242495-A COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-12-30 US claimed

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-11427591-B2 Kinase inhibitors DDR1, DDR2, DDRGK1 CA12 4862/4885CA1 4500/4885CA2 4126/4885
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPV5 CA12 2549/4885CA1 3307/4885CA2 753/4885
US-20050020650-A1 3-amido-1,2-benzoisoxazole derivatives, process for preparation, and use thereof LTB4R, FPR1, LTB4R2 CA12 4490/4885CA1 3570/4885CA2 1536/4885

“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.