SCHEMBL13712565

SCHEMBL13712565

CC(=O)NCc1ccc(-c2cccs2)s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DPP4 P27487 3/20 0.55
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LTA4H P09960 1/20 0.53
SCN9A Q15858 10/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL13710360 0.84 SCN9A (0.56) ALDH1A1MAPTKDM4EDPP4LMNA
SCHEMBL885325 0.79 POLB (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8127474 0.78 DPP4 (0.62) ALDH1A1MAPTKDM4EDPP4LMNA
SCHEMBL17921101 0.76 DPP4 (0.49) ALDH1A1MAPTKDM4EDPP4LMNA
SCHEMBL17921105 0.76 DPP4 (0.49) ALDH1A1MAPTKDM4EDPP4LMNA
SCHEMBL799956 0.76 DPP4 (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL498734 0.75 DPP4 (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13088311 0.74 DPP4 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL29071201 0.73 RAB9A (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL406832 0.73 DPP4 (0.96) ALDH1A1MAPTKDM4EMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 US 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-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 ALDH1A1 937/4885MAPT 2044/4885KDM4E 4010/4885

“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.