SCHEMBL2716622

SCHEMBL2716622

NCc1cnc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
SCN9A Q15858 5/20 0.36
SCN5A Q14524 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 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

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 SCHEMBL2714989 0.98 LOXL2 (0.38) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL15350734 0.88 NUDT1 (0.38) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL16759447 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL15350541 0.85 SCN9A (0.46) SMN1; SMN2MRGPRX4SCN9AAAK1
SCHEMBL2714774 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL15599157 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL4550308 0.82 LOXL2 (0.38) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2714225 0.82 AAK1 (0.38) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL23159359 0.81 MRGPRX4 (0.38) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19
SCHEMBL16770601 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MRGPRX4CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
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-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 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
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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 (2 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A SMN1; SMN2 338/4885MRGPRX4 2360/4885CYP1A2 3556/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A SMN1; SMN2 598/4885MRGPRX4 950/4885CYP1A2 1397/4885

“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.