SCHEMBL5565890

SCHEMBL5565890

Cc1ccsc1C(=O)c1cnc(NCCCNC(=O)NC2CCCCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
EPHX1 P07099 12/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
EPHX2 P34913 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL5568246 0.84 NPC1 (0.47) NPC1RAB9AEPHX1EPHX2TSHR
SCHEMBL5568011 0.82 EPHX1 (0.52) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL5564361 0.81 EPHX2 (0.42) EPHX1EPHX2
SCHEMBL5564649 0.80 EPHX1 (0.45) NPC1RAB9AEPHX1EPHX2TSHR
SCHEMBL5564894 0.79 MAPK13 (0.49) NPC1RAB9AEPHX1EPHX2TSHR
SCHEMBL5564654 0.78 MAPK14 (0.41) NPC1RAB9A
SCHEMBL5569211 0.77 RAB9A (0.47) NPC1RAB9A
SCHEMBL5564650 0.74 TMPRSS15 (0.44) NPC1RAB9A
SCHEMBL27615040 0.72 NPC1 (0.39) NPC1RAB9AALPLALPIALPG
SCHEMBL5568866 0.72 NPC1 (0.43) NPC1RAB9AMEN1KMT2A

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-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 NPC1 393/4885RAB9A 801/4885ALPL 2031/4885

“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.