SCHEMBL5044170

SCHEMBL5044170

CCCCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccccn2)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.49
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KLK1 P06870 7/20 0.45
TLR7 Q9NYK1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SREBF2 Q12772 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5044318 0.93 HPGD (0.49) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5043715 0.90 HPGD (0.50) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5046032 0.89 KLKB1 (0.53) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5043928 0.88 HPGD (0.48) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5048674 0.87 HPGD (0.51) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5044964 0.87 KLKB1 (0.47) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5044576 0.87 KLKB1 (0.49) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL5044444 0.87 HPGD (0.50) KLKB1MAPTHPGDTP53ALDH1A1
SCHEMBL6877458 0.86 KDM4E (0.48) KLKB1MAPTHPGDALDH1A1TLR7
SCHEMBL5049135 0.86 ALDH1A1 (0.60) KLKB1MAPTHPGDTP53ALDH1A1

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 KLKB1 3949/4885MAPT 3334/4885HPGD 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.