SCHEMBL4005376

SCHEMBL4005376

O=Cc1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
NFE2L2 Q16236 2/20 0.42
EGLN1 Q9GZT9 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
F2R P25116 1/20 0.39
CYP1A2 P05177 2/20 0.38
S1PR4 O95977 2/20 0.38
MAP4K4 O95819 4/20 0.38
KCNJ1 P48048 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL31513731 0.89 KCNJ1 (0.43) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31513730 0.89 KCNJ1 (0.43) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16761877 0.87 KCNJ1 (0.44) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29893944 0.87 KCNJ1 (0.44) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30893537 0.87 KCNJ1 (0.44) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL733566 0.83
SCHEMBL1585273 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2F2RKCNJ1
SCHEMBL29283921 0.82 KCNJ1 (0.42) HSD17B10SMN1; SMN2KCNJ1
SCHEMBL31008101 0.82 KCNJ1 (0.42) HSD17B10SMN1; SMN2KCNJ1
SCHEMBL30940234 0.81 KCNJ1 (0.41) F2RS1PR4MAP4K4KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US 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
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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 (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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R LTA4H 2875/4885NFE2L2 2166/4885EGLN1 507/4885

“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.