SCHEMBL5043940

SCHEMBL5043940

CCCCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 7/20 0.50
KLKB1 P03952 6/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK1 P06870 1/20 0.42
SCD O00767 1/20 0.41

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
SCHEMBL5046032 0.94 KLKB1 (0.53) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5048635 0.93 MAPT (0.50) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5047152 0.91 KLKB1 (0.45) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5039553 0.91 KLKB1 (0.48) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5044293 0.91 HPGD (0.49) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5047021 0.91 KLKB1 (0.49) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5043715 0.91 HPGD (0.50) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5045966 0.90 KLKB1 (0.49) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5047144 0.90 KLKB1 (0.49) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2
SCHEMBL5048674 0.90 HPGD (0.51) EIF4EKLKB1HPGDALDH1A1SMN1; SMN2

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 10 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 claimed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US claimed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
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 EIF4E 2174/4885KLKB1 3949/4885HPGD 2000/4885

“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.