SCHEMBL2009103

SCHEMBL2009103

O=Cc1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
HSD17B10 Q99714 1/20 0.50
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
DRD1 P21728 2/20 0.42
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
RPA1 P27694 1/20 0.41
TYR P14679 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PGR P06401 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
HTR2A P28223 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL4425575 0.85 KIF11 (0.59) KIF11HSD17B10ALDH1A1DRD1PTGS2
SCHEMBL42757 0.84 ALDH1A1 (0.64) KIF11HSD17B10ALDH1A1PTGS2
SCHEMBL29472390 0.84 ALDH1A1 (0.64) KIF11HSD17B10ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL30783012 0.82 ALDH1A1 (0.61) KIF11HSD17B10ALDH1A1PTGS2
SCHEMBL3457040 0.82 KIF11 (0.65) KIF11HSD17B10ALDH1A1DRD1PTGS1
SCHEMBL4372478 0.82 ALDH1A1 (0.68) KIF11HSD17B10ALDH1A1DRD1TYR
SCHEMBL20898226 0.77 TDP2 (0.47) HSD17B10TDP2ERCC1ERCC4PTGS2
SCHEMBL2012322 0.77 KIF11 (0.54) KIF11HSD17B10DRD1PTGS2PTGS1
SCHEMBL2013120 0.77 HSD17B10 (0.84) KIF11HSD17B10ALDH1A1DRD1TYR
SCHEMBL14656250 0.77 SOS1 (0.58) HSD17B10ALDH1A1DRD1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed
CN-101842378-A Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS INC (US) 2010-09-22 CN disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7348433-B2 Quinolinones as prostaglandin receptor ligands MERCK FROSST CANADA & CO. (CA) 2008-03-25 US disclosed
EP-1458718-B1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA LTD (CA) 2006-10-25 EP disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
US-20050222194-A1 Quinolinones as prostaglandin receptor ligands MERCK FROSST CANADA LTD. (CA) 2005-10-06 US disclosed
EP-1458718-A1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS Merck Frosst Canada & Co. (CA) 2004-09-22 EP disclosed
WO-2003051878-A1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA & CO. (CA) 2003-06-26 WO disclosed
EP-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 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 (2 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY KIF11 4375/4885HSD17B10 68/4885TDP2 3014/4885
US-20050222194-A1 Quinolinones as prostaglandin receptor ligands PTGFR, PTGER1, PTGER2 KIF11 4567/4885HSD17B10 1112/4885TDP2 3695/4885

“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.