SCHEMBL1549909

SCHEMBL1549909

OCc1ccc(-c2ccc(Cl)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
KDM1A O60341 2/20 0.49
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MAOB P27338 1/20 0.45
NOTUM Q6P988 2/20 0.45
FYN P06241 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.43
P2RX7 Q99572 1/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12970151 0.89 KDM1A (0.53) GRM2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL1549465 0.83 GRM2 (0.50) GRM2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL26316729 0.81 AURKA (0.54) KDM1ANPC1RAB9ASMN1; SMN2FYN
SCHEMBL12603839 0.81 SMN1; SMN2 (0.61) GRM2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL12569433 0.81 GRM2 (0.49) GRM2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL2216313 0.81 FYN (0.56) KDM1ANPC1RAB9ASMN1; SMN2FYN
SCHEMBL8187876 0.81 GRM2 (0.49) GRM2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL12002675 0.81 NPC1 (0.61) KDM1ANPC1RAB9ASMN1; SMN2FYN
SCHEMBL2412899 0.81 CYP11B1 (0.59) KDM1ANPC1RAB9ASMN1; SMN2FYN
SCHEMBL4420085 0.81 P2RX7 (0.51) GRM2KDM1ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
CN-1875002-B Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE 2011-08-03 CN disclosed
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
CN-1875002-A Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 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
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
CN-1047220-A PAN GRANULATION DU PONT (US) 1990-11-28 CN 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG GRM2 1661/4885KDM1A 1272/4885NPC1 387/4885

“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.