SCHEMBL5565898

SCHEMBL5565898

CCc1ccccc1C(=O)c1cnc(NCCCNC(=O)c2ccc(F)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LCK P06239 1/20 0.41
ACKR3 P25106 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5565186 0.92 NPC1 (0.46) NPC1RAB9AMAPK14MAPK13MAPK12
SCHEMBL5568751 0.90 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5569114 0.90 NAMPT (0.41) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5564268 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5569836 0.89 KMT2A (0.50) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5569153 0.88 MAPK13 (0.44) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5564622 0.87 MAPK13 (0.61) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5567880 0.87 MAPK13 (0.48) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5568773 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPK14MAPK13
SCHEMBL5564663 0.85 ALDH1A1 (0.48)

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 801/4885SMN1; SMN2 2375/4885

“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.