SCHEMBL5568653

SCHEMBL5568653

Cc1cccnc1C(=O)c1cnc(NCCCNC(=O)Cc2ccc(Cl)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
PRNP P04156 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5568787 0.89 RAB9A (0.41) RAB9ASMN1; SMN2NPC1PRNPKMT2A
SCHEMBL5565127 0.87 MAPK14 (0.46) MAPK14RAB9ASMN1; SMN2NPC1PRNP
SCHEMBL5564648 0.83 NPC1 (0.54) MAPK14RAB9ASMN1; SMN2NPC1PRNP
SCHEMBL5568898 0.81 MAPK14 (0.45) MAPK14RAB9ASMN1; SMN2NPC1PRNP
SCHEMBL5569877 0.79 MAPK14 (0.43) MAPK14RAB9ANPC1
SCHEMBL5564468 0.78 NPC1 (0.46) MAPK14RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL5565911 0.76 KDM4E (0.43) MAPK14KMT2AMEN1ALDH1A1GAA
SCHEMBL5569873 0.75 TMPRSS15 (0.44) MAPK14RAB9ANPC1
SCHEMBL5568609 0.74 RAB9A (0.49) MAPK14RAB9ASMN1; SMN2NPC1PRNP
SCHEMBL5564659 0.74 RAB9A (0.51) MAPK14RAB9ASMN1; SMN2NPC1PRNP

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 MAPK14 3558/4885RAB9A 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.