SCHEMBL4550311

SCHEMBL4550311

Cc1cc(OCC(F)(F)F)ncc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DGAT1 O75907 9/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34

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 SCHEMBL2716522 0.98 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL30931727 0.87 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL2715843 0.84 L3MBTL1 (0.42) L3MBTL1DGAT1EPHX2
SCHEMBL2713521 0.84 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL27914088 0.78 L3MBTL1 (0.35) L3MBTL1MAPTDGAT1POLBMAPK1
SCHEMBL21327094 0.78 NNMT (0.50) KDM4EMEN1KMT2ANOS3NOS1
Hydrochloric Acid SCHEMBL30931620 0.77 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL2714519 0.77 NOS3 (0.35) KDM4ENOS3NOS1NOS2FFAR1
SCHEMBL20203996 0.77 L3MBTL1 (0.41) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL25848994 0.76 LOXL2 (0.44) KDM4EHSP90AA1HSP90AB1NOS3NOS1

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 4 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-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 2429/4885MAPT 3185/4885ALDH1A1 1358/4885

“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.