SCHEMBL5564468

SCHEMBL5564468

Cc1cccnc1C(=O)c1cnc(NCCCNC(=O)c2ccc(F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK14 Q16539 4/20 0.42
LCK P06239 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL5565911 0.90 KDM4E (0.43) MEN1KMT2AMAPK14LCKKDM4E
SCHEMBL5564268 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5568188 0.83 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPK14
SCHEMBL5569211 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPK14LCK
SCHEMBL5569877 0.81 MAPK14 (0.43) NPC1RAB9AMAPK14LCK
SCHEMBL5565898 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5569959 0.80 MEN1 (0.42) MEN1KMT2AMAPK14LCKKDM4E
SCHEMBL5564622 0.79 MAPK13 (0.61) NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL5564672 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPK14
SCHEMBL5568773 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.