SCHEMBL5564649

SCHEMBL5564649

CCc1ccccc1C(=O)c1cnc(NCCCNC(=O)NC2CCCCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.45
KMT2A Q03164 1/20 0.43
EPHX2 P34913 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5568246 0.90 NPC1 (0.47) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL5564894 0.88 MAPK13 (0.49) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL5568011 0.86 EPHX1 (0.52) EPHX1KMT2AEPHX2NPC1TP53
SCHEMBL5568870 0.85 POLB (0.44) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL5564016 0.82 EPHX1 (0.46) EPHX1
SCHEMBL5565890 0.80 NPC1 (0.45) EPHX1KMT2AEPHX2NPC1TSHR
SCHEMBL27596169 0.80 MAPK14 (0.38)
SCHEMBL5565186 0.80 NPC1 (0.46) NPC1RAB9A
SCHEMBL5567843 0.80 NPC1 (0.45) NPC1RAB9A
SCHEMBL5564361 0.80 EPHX2 (0.42) EPHX1EPHX2

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 EPHX1 2885/4885KMT2A 2916/4885EPHX2 3697/4885

“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.