SCHEMBL5043336

SCHEMBL5043336

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 3/20 0.46
STAT1 P42224 1/20 0.46
KLKB1 P03952 3/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 1/20 0.43
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
KMT2A Q03164 3/20 0.41
HIF1A Q16665 3/20 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
SCHEMBL5047025 0.90 KLKB1 (0.49) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5039266 0.89 NPC1 (0.51) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5047785 0.88 SMN1; SMN2 (0.45) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5044779 0.88 ALDH1A1 (0.47) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5040255 0.88 MAPT (0.49) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5043783 0.88 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5043851 0.87 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5048654 0.86 MAPT (0.50) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5039629 0.85 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5039433 0.85 SREBF2 (0.42) NPC1RAB9AALDH1A1MAPTL3MBTL1

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 NPC1 500/4885RAB9A 1009/4885ALDH1A1 959/4885

“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.