SCHEMBL2718344

SCHEMBL2718344

CC(=O)Nc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
MLYCD O95822 1/20 0.47
RIPK1 Q13546 1/20 0.47
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
TACR1 P25103 2/20 0.45
EGLN1 Q9GZT9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ROS1 P08922 1/20 0.44
AURKA O14965 1/20 0.43
SCN9A Q15858 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2714653 0.93 MLYCD (0.54) MLYCDKDM1AHDAC1TACR1ALDH1A1
SCHEMBL2715156 0.90 NAMPT (0.49) NAMPTMLYCDKDM1AHDAC1TACR1
SCHEMBL18266202 0.89 TACR1 (0.48) MLYCDKDM1AHDAC1TACR1ALDH1A1
SCHEMBL2715620 0.89 SCN9A (0.56) NAMPTMLYCDKDM1AHDAC1TACR1
SCHEMBL2717667 0.87 GSK3B (0.53) NAMPT
SCHEMBL2715062 0.86 MLYCD (0.58) MLYCDRIPK1CYP3A4HPGDCYP1A2
SCHEMBL27913626 0.84 NAMPT (0.52) NAMPTMLYCDKDM1AHDAC1TACR1
SCHEMBL2718299 0.83 MLYCD (0.52) MLYCDKDM1AHDAC1TACR1ALDH1A1
SCHEMBL2715403 0.82 SCN9A (0.59) MLYCDKDM1AHDAC1TACR1ALDH1A1
SCHEMBL2715413 0.81 RIPK1 (0.52) RIPK1KDM1AHDAC1SCN9ALMNA

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 13 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 claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN 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-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
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 (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 NAMPT 530/4885MLYCD 4116/4885RIPK1 4666/4885

“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.