SCHEMBL5043301

SCHEMBL5043301

C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.53
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EIF4E P06730 1/20 0.45
KLK1 P06870 5/20 0.44

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
SCHEMBL5046987 0.94 KLKB1 (0.48) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5048631 0.91 KLKB1 (0.47) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5048709 0.90 HPGD (0.45) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5044878 0.90 MAPT (0.52) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5048672 0.90 KLKB1 (0.47) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5046920 0.90 KLKB1 (0.46) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5039543 0.89 HPGD (0.52) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5043741 0.89 KLKB1 (0.50) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5043669 0.88 KLKB1 (0.54) KLKB1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL5039546 0.87 KLKB1 (0.43) KLKB1KDM4EMAPTSMN1; SMN2POLB

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 3949/4885HPGD 2000/4885KDM4E 2916/4885

“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.