SCHEMBL5569746

SCHEMBL5569746

CC(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
KMT2A Q03164 1/20 0.43
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5563877 0.88 NPC1 (0.46) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5564672 0.88 NPC1 (0.47) MAPK14KMT2AMAPK13MAPK12MAPK11
SCHEMBL5563863 0.88 MAPK14 (0.46) MAPK14KMT2ANPC1RAB9ATSHR
SCHEMBL5563965 0.86 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5567867 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5564741 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5567831 0.85 STK17B (0.44) MAPK14KMT2ACYP3A4
SCHEMBL5569154 0.85 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL5569497 0.85 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5568720 0.85 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CYP1A2

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 3558/4885KMT2A 2916/4885MAPK13 3868/4885

“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.