SCHEMBL5048635

SCHEMBL5048635

CCCCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccc(Cl)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TP53 P04637 5/20 0.50
KLKB1 P03952 4/20 0.50
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KLK1 P06870 2/20 0.47
IDH1 O75874 5/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45
EIF4E P06730 1/20 0.45
LMNA P02545 2/20 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
SCHEMBL5046032 0.97 KLKB1 (0.53) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5044293 0.94 HPGD (0.49) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5043940 0.93 EIF4E (0.50) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5039553 0.93 KLKB1 (0.48) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5043715 0.93 HPGD (0.50) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5048674 0.92 HPGD (0.51) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5048621 0.91 KLKB1 (0.48) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5047021 0.91 KLKB1 (0.49) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5044444 0.91 HPGD (0.50) MAPTTP53KLKB1HPGDALDH1A1
SCHEMBL5045700 0.91 KLKB1 (0.48) MAPTTP53KLKB1HPGDALDH1A1

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 8 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
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US 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 MAPT 3334/4885TP53 4443/4885KLKB1 3949/4885

“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.