SCHEMBL5568773

SCHEMBL5568773

O=C(NCCCNc1ncc(C(=O)c2ccccc2C(F)(F)F)s1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
SCD O00767 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 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
SCHEMBL5569283 0.93 SCD (0.46) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5564275 0.91 KMT2A (0.51) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5569093 0.90 ALDH1A1 (0.43) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL5568761 0.89 KMT2A (0.48) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5564819 0.88 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5564622 0.87 MAPK13 (0.61) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5564268 0.87 NPC1 (0.47) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5565898 0.86 NPC1 (0.47) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5564190 0.85 MAPT (0.48) TP53MAPTKMT2AMEN1
SCHEMBL5564938 0.81 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14SCD

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 801/4885MAPK13 3868/4885

“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.