SCHEMBL5047645

SCHEMBL5047645

CCc1cc(-c2nc(-c3cc(C(=O)NCC(C)C)c(C)n3CC3CCCCC3)cs2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 4/20 0.42
SREBF1 P36956 1/20 0.42
IDH1 O75874 1/20 0.42
KLK1 P06870 5/20 0.38
KLKB1 P03952 8/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5039865 0.92 SREBF2 (0.43) SREBF2SREBF1KLK1KLKB1HTR2A
SCHEMBL5045669 0.90 HTR2A (0.43) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5047738 0.90 SREBF2 (0.42) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5043728 0.89 SREBF2 (0.41) SREBF2SREBF1KLK1KLKB1HTR2A
SCHEMBL5048584 0.88 SREBF2 (0.47) SREBF2SREBF1IDH1CDK5CDK5R1
SCHEMBL5043307 0.87 SREBF2 (0.48) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5048726 0.85 SREBF2 (0.46) SREBF2SREBF1IDH1KLKB1CDK5
SCHEMBL5039299 0.84 EIF4E (0.41) SREBF2SREBF1
SCHEMBL5044797 0.84 KLKB1 (0.48) IDH1KLK1KLKB1
SCHEMBL5048671 0.84 SREBF2 (0.42) SREBF2SREBF1KLK1KLKB1PDE10A

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 1307/4885IDH1 3182/4885

“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.