SCHEMBL5039433

SCHEMBL5039433

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 9/20 0.42
SREBF1 P36956 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KLK1 P06870 2/20 0.38
KLKB1 P03952 3/20 0.38
MAPT P10636 2/20 0.38
IDH1 O75874 1/20 0.37
EIF4E P06730 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5048930 0.90 IDH1 (0.44) SREBF2SREBF1NPC1RAB9AKLK1
SCHEMBL5040257 0.89 SREBF2 (0.42) SREBF2SREBF1NPC1RAB9AKLK1
SCHEMBL5039349 0.89 SREBF2 (0.48) SREBF2SREBF1NPC1RAB9AKLKB1
SCHEMBL5039597 0.86 SREBF2 (0.42) SREBF2SREBF1NPC1RAB9AKLK1
SCHEMBL5044380 0.86 SREBF2 (0.45) SREBF2SREBF1KLK1KLKB1MAPT
SCHEMBL5043336 0.85 NPC1 (0.50) NPC1RAB9AKLK1KLKB1MAPT
SCHEMBL5049148 0.85 SREBF2 (0.44) SREBF2SREBF1NPC1RAB9AKLK1
SCHEMBL5044425 0.83 RAB9A (0.43) NPC1RAB9AKLK1KLKB1MAPT
SCHEMBL5133244 0.83 KLKB1 (0.40) SREBF2SREBF1NPC1RAB9AKLK1
SCHEMBL5047738 0.82 SREBF2 (0.42) SREBF2SREBF1KLK1KLKB1MAPT

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 1307/4885NPC1 500/4885

“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.