SCHEMBL5044878

SCHEMBL5044878

C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2cccs2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KLKB1 P03952 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ESR1 P03372 1/20 0.43
LMNA P02545 5/20 0.43

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
SCHEMBL5043301 0.90 KLKB1 (0.53) MAPTNPC1RAB9AALDH1A1KLKB1
SCHEMBL5039266 0.89 NPC1 (0.51) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5046920 0.88 KLKB1 (0.46) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5048654 0.88 MAPT (0.50) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5043783 0.86 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5048672 0.85 KLKB1 (0.47) MAPTNPC1RAB9AALDH1A1KLKB1
SCHEMBL5046987 0.85 KLKB1 (0.48) MAPTNPC1RAB9AALDH1A1KLKB1
SCHEMBL5048619 0.85 ALDH1A1 (0.47) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5039543 0.85 HPGD (0.52) MAPTNPC1RAB9AALDH1A1KLKB1
SCHEMBL5043336 0.84 NPC1 (0.50) MAPTNPC1RAB9AALDH1A1L3MBTL1

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 3 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
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US 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 3334/4885NPC1 500/4885RAB9A 1009/4885

“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.