SCHEMBL5568898

SCHEMBL5568898

CCc1ccccc1C(=O)c1cnc(NCCCNC(=O)Cc2ccc(Cl)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PRNP P04156 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 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
SCHEMBL5565127 0.90 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5568751 0.87 RAB9A (0.48) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5568735 0.86 MAPK13 (0.45) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5564648 0.85 NPC1 (0.54) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL5568870 0.81 POLB (0.44) MAPK14MAPK13MAPK12MAPK11CDK5
SCHEMBL5568653 0.81 MAPK14 (0.41) MAPK14KMT2AMEN1CCNE1CDK2
SCHEMBL5565186 0.81 NPC1 (0.46) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5568787 0.80 RAB9A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5567843 0.80 NPC1 (0.45) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5569153 0.79 MAPK13 (0.44) MAPK14MAPK13MAPK12MAPK11KMT2A

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 3558/4885MAPK13 3868/4885MAPK12 4156/4885

“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.