SCHEMBL5039865

SCHEMBL5039865

CCc1cc(-c2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3CC3CCCCC3)cs2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 5/20 0.43
SREBF1 P36956 1/20 0.43
KLKB1 P03952 8/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
KLK1 P06870 5/20 0.38
PDE10A Q9Y233 1/20 0.37
EIF4E P06730 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5047645 0.92 SREBF2 (0.42) SREBF2SREBF1KLKB1HTR2AHTR2C
SCHEMBL5039299 0.92 EIF4E (0.41) SREBF2SREBF1EIF4EALDH1A1ATM
SCHEMBL5045669 0.92 HTR2A (0.43) SREBF2SREBF1KLKB1HTR2AHTR2C
SCHEMBL5048671 0.92 SREBF2 (0.42) SREBF2SREBF1KLKB1KLK1PDE10A
SCHEMBL5043728 0.91 SREBF2 (0.41) SREBF2SREBF1KLKB1HTR2AHTR2C
SCHEMBL5045028 0.91 SREBF2 (0.41) SREBF2SREBF1KLKB1KLK1PDE10A
SCHEMBL5044843 0.90 ALDH1A1 (0.45) SREBF2SREBF1KLKB1KLK1PDE10A
SCHEMBL5048584 0.89 SREBF2 (0.47) SREBF2SREBF1ALDH1A1MAPTATM
SCHEMBL5133244 0.89 KLKB1 (0.40) SREBF2SREBF1KLKB1KLK1EIF4E
SCHEMBL5047738 0.88 SREBF2 (0.42) SREBF2SREBF1KLKB1KLK1ALDH1A1

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 1307/4885KLKB1 3949/4885

“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.