SCHEMBL5569447

SCHEMBL5569447

O=C(NCCCNc1ncc(C(=O)c2ccccc2)s1)NCc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
KMT2A Q03164 5/20 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
CASR P41180 1/20 0.47
MEN1 O00255 3/20 0.46
MAPK13 O15264 2/20 0.46

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
SCHEMBL5564339 0.90 MAPK13 (0.53) NPC1RAB9ACASRMAPK13MAPK12
SCHEMBL5567843 0.87 NPC1 (0.45) NPC1RAB9AHTTCASRMAPK13
SCHEMBL5568946 0.87 MAPK14 (0.46) NPC1RAB9AKMT2AMEN1MAPK13
SCHEMBL5568758 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5564666 0.79 MAPK13 (0.62) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL5569196 0.78 MAPK13 (0.58) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5569004 0.78 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564648 0.77 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5568011 0.76 EPHX1 (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5564235 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHTT

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.