SCHEMBL5569173

SCHEMBL5569173

NCCCCCNc1ncc(C(=O)c2ccncc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 3/20 0.41
TMPRSS15 P98073 2/20 0.40
LATS1 O95835 3/20 0.40
LATS2 Q9NRM7 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5569588 0.95 NPC1 (0.46) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5564235 0.84 NPC1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5568902 0.82 NPC1 (0.59) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5565219 0.82 NPC1 (0.46) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5568208 0.81 NPY5R (0.41) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5565126 0.79 NPY5R (0.55) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5565125 0.78 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564293 0.78 KDM4C (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5564032 0.78 MAPK14 (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5568720 0.76 MAPK14 (0.44) NPC1RAB9ACYP1A2CYP3A4CYP2C9

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 6 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-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 393/4885RAB9A 801/4885CYP1A2 1187/4885

“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.