SCHEMBL5049148

SCHEMBL5049148

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 4/20 0.44
KLKB1 P03952 5/20 0.44
SREBF1 P36956 1/20 0.41
EIF4E P06730 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT1 P42224 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLK1 P06870 2/20 0.40
WNT3A P56704 2/20 0.39
IDH1 O75874 1/20 0.38
POLB P06746 1/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL5047025 0.91 KLKB1 (0.49) KLKB1EIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL5044818 0.90 KLKB1 (0.48) SREBF2KLKB1SREBF1EIF4ENPC1
SCHEMBL5044546 0.89 SREBF2 (0.49) SREBF2KLKB1SREBF1EIF4ENPC1
SCHEMBL5044964 0.87 KLKB1 (0.47) SREBF2KLKB1SREBF1EIF4ENPC1
SCHEMBL5048631 0.86 KLKB1 (0.47) SREBF2KLKB1SREBF1EIF4ENPC1
SCHEMBL5043757 0.86 KLKB1 (0.47) KLKB1EIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL5039433 0.85 SREBF2 (0.42) SREBF2KLKB1SREBF1EIF4ENPC1
SCHEMBL5040257 0.85 SREBF2 (0.42) SREBF2KLKB1SREBF1NPC1RAB9A
SCHEMBL5044380 0.84 SREBF2 (0.45) SREBF2KLKB1SREBF1KLK1IDH1
SCHEMBL5039946 0.84 EIF4E (0.42) KLKB1EIF4ENPC1RAB9ASMN1; 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 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 2076/4885KLKB1 3949/4885SREBF1 1307/4885

“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.