SCHEMBL5133244

SCHEMBL5133244

CCc1cc(-c2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3Cc3cccs3)cs2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.40
SREBF2 Q12772 3/20 0.40
SREBF1 P36956 1/20 0.40
KLK1 P06870 7/20 0.38
PBK Q96KB5 2/20 0.37
EIF4E P06730 1/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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 0.89 SREBF2 (0.43) KLKB1SREBF2SREBF1KLK1EIF4E
SCHEMBL5045028 0.88 SREBF2 (0.41) KLKB1SREBF2SREBF1KLK1
SCHEMBL5048671 0.87 SREBF2 (0.42) KLKB1SREBF2SREBF1KLK1CNR1
SCHEMBL5048930 0.87 IDH1 (0.44) KLKB1SREBF2SREBF1KLK1NPC1
SCHEMBL5039597 0.86 SREBF2 (0.42) KLKB1SREBF2SREBF1KLK1NPC1
SCHEMBL5043975 0.86 KLKB1 (0.46) KLKB1SREBF2SREBF1KLK1EIF4E
SCHEMBL5039299 0.86 EIF4E (0.41) SREBF2SREBF1EIF4ENPC1RAB9A
SCHEMBL5048619 0.85 ALDH1A1 (0.47) KLKB1KLK1NPC1RAB9A
SCHEMBL5044843 0.85 ALDH1A1 (0.45) KLKB1SREBF2SREBF1KLK1
SCHEMBL5039349 0.84 SREBF2 (0.48) KLKB1SREBF2SREBF1EIF4ENPC1

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 KLKB1 3949/4885SREBF2 2076/4885SREBF1 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.