SCHEMBL5044546

SCHEMBL5044546

CCc1cc(-c2nc(-c3cc(C(=O)O)c(C)n3Cc3ccc(OC)cc3)cs2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 4/20 0.49
SREBF1 P36956 1/20 0.46
EIF4E P06730 10/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KLKB1 P03952 1/20 0.43
HPGD P15428 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
WNT3A P56704 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
SCHEMBL5047165 0.92 SREBF2 (0.50) SREBF2SREBF1EIF4EKDM4EALDH1A1
SCHEMBL5045711 0.89 KDM4E (0.55) EIF4EKDM4EALDH1A1NPC1RAB9A
SCHEMBL5049148 0.89 SREBF2 (0.44) SREBF2SREBF1EIF4EKDM4EALDH1A1
SCHEMBL5044818 0.88 KLKB1 (0.48) SREBF2SREBF1EIF4ENPC1RAB9A
SCHEMBL5044964 0.88 KLKB1 (0.47) SREBF2SREBF1EIF4EALDH1A1NPC1
SCHEMBL5048631 0.87 KLKB1 (0.47) SREBF2SREBF1EIF4EKDM4ENPC1
SCHEMBL6471994 0.86 KDM4E (0.51) EIF4EKDM4EALDH1A1NPC1RAB9A
SCHEMBL6879060 0.86 KDM4E (0.53) EIF4EKDM4EALDH1A1NPC1RAB9A
SCHEMBL5044780 0.85 KDM4E (0.48) EIF4EKDM4EALDH1A1NPC1RAB9A
SCHEMBL6877458 0.84 KDM4E (0.48) SREBF2EIF4EKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R SREBF2 2076/4885SREBF1 1307/4885EIF4E 2174/4885

“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.