SCHEMBL4550309

SCHEMBL4550309

Cc1nc(OCC(F)(F)F)ccc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
DGAT1 O75907 2/20 0.35
NUDT1 P36639 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 4/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL2716406 0.98 L3MBTL1 (0.38) L3MBTL1DGAT1NUDT1SMN1; SMN2POLB
SCHEMBL2713247 0.84 L3MBTL1 (0.42) L3MBTL1DGAT1SMN1; SMN2POLBMAPK1
SCHEMBL2713423 0.84 L3MBTL1 (0.39) L3MBTL1DGAT1NUDT1SMN1; SMN2POLB
SCHEMBL2715306 0.81 CD274 (0.43) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL2716920 0.80 CD274 (0.42) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
SCHEMBL4550327 0.80 L3MBTL1 (0.36) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL2717471 0.79 MBOAT4 (0.35) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
SCHEMBL27931955 0.78 L3MBTL1 (0.35) L3MBTL1DGAT1SMN1; SMN2POLBMAPK1
SCHEMBL2715718 0.77 FFAR1 (0.32) FFAR1
SCHEMBL4550406 0.77 L3MBTL1 (0.39) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1

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-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A L3MBTL1 2429/4885DGAT1 1642/4885NUDT1 884/4885

“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.