SCHEMBL5048930

SCHEMBL5048930

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
SREBF2 Q12772 5/20 0.43
SREBF1 P36956 1/20 0.43
KLKB1 P03952 9/20 0.42
KLK1 P06870 6/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5039597 0.90 SREBF2 (0.42) IDH1SREBF2SREBF1KLKB1KLK1
SCHEMBL5039433 0.90 SREBF2 (0.42) IDH1SREBF2SREBF1KLKB1KLK1
SCHEMBL5043769 0.89 IDH1 (0.44) IDH1SREBF2SREBF1KLKB1KLK1
SCHEMBL5043307 0.88 SREBF2 (0.48) IDH1SREBF2SREBF1KLKB1KLK1
SCHEMBL5039349 0.88 SREBF2 (0.48) IDH1SREBF2SREBF1KLKB1CDK5
SCHEMBL5133244 0.87 KLKB1 (0.40) SREBF2SREBF1KLKB1KLK1NPC1
SCHEMBL5048726 0.85 SREBF2 (0.46) IDH1SREBF2SREBF1KLKB1CDK5
SCHEMBL5044818 0.85 KLKB1 (0.48) IDH1SREBF2SREBF1KLKB1KLK1
SCHEMBL5039266 0.84 NPC1 (0.51) IDH1KLKB1KLK1NPC1RAB9A
SCHEMBL5044314 0.82 IDH1 (0.46) IDH1KLKB1KLK1NPC1RAB9A

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 IDH1 3182/4885SREBF2 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.