SCHEMBL5564672

SCHEMBL5564672

Cc1ccccc1C(=O)c1cnc(NCCCNC(=O)c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.46
LCK P06239 2/20 0.44
MAPK14 Q16539 6/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5564659 0.92 RAB9A (0.51) NPC1RAB9AKMT2ALCKMAPK14
SCHEMBL5564268 0.92 NPC1 (0.47) NPC1RAB9AKMT2ALCKMAPK14
SCHEMBL5569464 0.90 KMT2A (0.45) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5569762 0.89 KDM4E (0.44) KMT2ALCKMAPK14MAPK13MAPK12
SCHEMBL5565186 0.88 NPC1 (0.46) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5569746 0.88 MAPK14 (0.43) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5569196 0.87 MAPK13 (0.58) NPC1RAB9AMAPK14MAPK13MAPK12
SCHEMBL5563877 0.85 NPC1 (0.46) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5563965 0.85 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5569283 0.85 SCD (0.46) NPC1CYP1A2CYP3A4CYP2C9CYP2C19

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 5 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
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 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
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 NPC1 393/4885CYP1A2 1187/4885CYP3A4 1222/4885

“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.