SCHEMBL2595348

SCHEMBL2595348

Clc1[c]c2c(cc1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
CYP3A4 P08684 1/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6847374 0.74 ABCG2 (0.37) ABCG2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL744928 0.74 ABCG2 (0.37) ABCG2CYP3A4MAOBALDH1A1HSD17B10
SCHEMBL1099292 0.74 ABCG2 (0.37) ABCG2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL8570298 0.74 ABCG2 (0.37) ABCG2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL8121070 0.67 TXNRD1 (0.44) CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL17289196 0.67
SCHEMBL5680450 0.65 ABCG2 (0.38) ABCG2CYP3A4MAOBTDP1MAPK1
SCHEMBL7629626 0.64 MAOB (0.33) CYP3A4MAOBALDH1A1
SCHEMBL350736 0.63 NOTUM (0.31)
SCHEMBL5680495 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP claimed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP claimed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US claimed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO claimed
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 US claimed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 WO claimed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO claimed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP claimed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP claimed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ABCG2 622/4885CYP3A4 3504/4885MAOB 67/4885
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ABCG2 1574/4885CYP3A4 3225/4885MAOB 1961/4885
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IDO1, IL1B, IDO2 ABCG2 236/4885CYP3A4 25/4885MAOB 305/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ABCG2 1574/4885CYP3A4 3225/4885MAOB 1961/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 ABCG2 2853/4885CYP3A4 3548/4885MAOB 1486/4885

“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.