SCHEMBL5568758

SCHEMBL5568758

CCCCNC(=O)NCCCNc1ncc(C(=O)c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK9 P50750 1/20 0.53
LIMK1 P53667 1/20 0.53
CDK5 Q00535 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
MAPK13 O15264 3/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 3/20 0.52
MAPK14 Q16539 3/20 0.52
MAPT P10636 4/20 0.49

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
SCHEMBL5568870 0.86 POLB (0.44) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5563863 0.86 MAPK14 (0.46) NPC1RAB9ACLK2GSK3AGSK3B
SCHEMBL5563661 0.85 MAPK13 (0.46) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5569004 0.85 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569447 0.83 NPC1 (0.53) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5568011 0.81 EPHX1 (0.52) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5564235 0.81 NPC1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL14417494 0.80 NPC1 (0.71) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5563940 0.80 KDM6B (0.41) NPC1RAB9ALIMK1MAPK14SMN1; SMN2
Hydrochloric Acid SCHEMBL5568902 0.80 NPC1 (0.59) 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 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 393/4885RAB9A 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.