SCHEMBL5044818

SCHEMBL5044818

CCc1cc(-c2nc(-c3cc(C(=O)NCC(C)C)c(C)n3Cc3ccc(OC)cc3)cs2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.48
SREBF2 Q12772 4/20 0.45
KLK1 P06870 4/20 0.43
IDH1 O75874 1/20 0.43
SREBF1 P36956 1/20 0.42
EIF4E P06730 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT3A P56704 1/20 0.39

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
SCHEMBL5043946 0.93 SREBF2 (0.45) KLKB1SREBF2KLK1IDH1SREBF1
SCHEMBL5043669 0.91 KLKB1 (0.54) KLKB1KLK1IDH1EIF4ENPC1
SCHEMBL5044964 0.90 KLKB1 (0.47) KLKB1SREBF2KLK1SREBF1EIF4E
SCHEMBL5049148 0.90 SREBF2 (0.44) KLKB1SREBF2KLK1IDH1SREBF1
SCHEMBL5048631 0.90 KLKB1 (0.47) KLKB1SREBF2KLK1SREBF1EIF4E
SCHEMBL5044546 0.88 SREBF2 (0.49) KLKB1SREBF2SREBF1EIF4ENPC1
SCHEMBL5043975 0.87 KLKB1 (0.46) KLKB1SREBF2KLK1SREBF1EIF4E
SCHEMBL5044978 0.87 KLKB1 (0.49) KLKB1KLK1IDH1EIF4ENPC1
SCHEMBL5043307 0.86 SREBF2 (0.48) KLKB1SREBF2KLK1IDH1SREBF1
SCHEMBL5045670 0.85 KLKB1 (0.51) KLKB1KLK1IDH1EIF4ENPC1

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 2076/4885KLK1 3547/4885

“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.