SCHEMBL17240482

SCHEMBL17240482

O=C(NCc1ccc(OCC(F)(F)F)cn1)c1cccc(OC(F)C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 5/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK14 Q16539 2/20 0.39
EPHX2 P34913 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.38
RORC P51449 2/20 0.37

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
SCHEMBL2137785 0.91 HTT (0.47) MAPTHTTNAMPTHDAC1HDAC8
SCHEMBL17240523 0.90 RAB9A (0.46) MAPTNAMPTMAPK14EPHX2NPC1
SCHEMBL17240458 0.88 MAPK14 (0.43) NAMPTHDAC1HDAC8HDAC6MAPK14
SCHEMBL2136407 0.87 NAMPT (0.51) NAMPTMAPK14HTR2C
SCHEMBL2138839 0.82 MAPT (0.48) MAPTHTTNAMPTMAPK14SMN1; SMN2
SCHEMBL2133636 0.80 RAB9A (0.56) NAMPTMAPK14EPHX2NPC1RAB9A
SCHEMBL2136526 0.76 EPHX2 (0.52) NAMPTMAPK14EPHX2NPC1RAB9A
SCHEMBL2137173 0.76 EPHX2 (0.54) MAPTHTTHDAC8HDAC6EPHX2
SCHEMBL21921090 0.75 SMN1; SMN2 (0.50) MAPTNAMPTMAPK14EPHX2NPC1
SCHEMBL2137668 0.74 NPC1 (0.54) MAPK14EPHX2NPC1RAB9ASMN1; SMN2

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-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H MAPT 2659/4885HTT 633/4885NAMPT 1450/4885

“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.