SCHEMBL741176

SCHEMBL741176

O=C(Nc1ccc(SSc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.72
PTPN1 P18031 3/20 0.69
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
KDM4E B2RXH2 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PRMT1 Q99873 1/20 0.61
FFAR1 O14842 1/20 0.61
PGR P06401 1/20 0.61
JAK2 O60674 1/20 0.59
TYK2 P29597 1/20 0.59
KCNK3 O14649 1/20 0.58

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
SCHEMBL24203622 0.89 PTPN1 (0.69) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL126415 0.88 PTPN1 (0.87) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL14715824 0.86 NPC1 (0.88) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL18103163 0.86 NPC1 (0.88) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL2563371 0.85 NPC1 (0.66) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL19501815 0.84 SIRT1 (1.00) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL26953087 0.84 PTPN1 (0.88) SIRT1PTPN1NPC1RAB9AKDM4E
N-Phenylbenzamide SCHEMBL5402750 0.83 SIRT1 (0.83) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL24202631 0.83 SIRT1 (0.83) SIRT1PTPN1NPC1RAB9AKDM4E
N-Phenylbenzamide SCHEMBL31966 0.83 SIRT1 (0.83) SIRT1PTPN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8137447-B2 Electroless plating solution, method for electroless plating using the same and method for manufacturing circuit board C. UYEMURA & CO., LTD. (JP) 2012-03-20 US disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
US-20100003399-A1 ELECTROLESS PLATING SOLUTION, METHOD FOR ELECTROLESS PLATING USING THE SAME AND METHOD FOR MANUFACTURING CIRCUIT BOARD C. UYEMURA & CO., LTD. (JP) 2010-01-07 US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed
US-5357010-A Polymerizing chloroprene in presence of free radical catalyst and chain transfer agent ENICHEM ELASTOMERES FRANCE SA (FR) 1994-10-18 US disclosed
US-5194539-A Of ethylenically unsaturated monomers where the aqueous dispersion is free from odor causing xanthogen disulfide RHONE-POULENC CHIMIE (FR) 1993-03-16 US 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-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 SIRT1 1893/4885PTPN1 2214/4885NPC1 2449/4885

“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.