SCHEMBL2715671

SCHEMBL2715671

Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nc(NC(=O)C2CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
TSHR P16473 1/20 0.59
MMP13 P45452 2/20 0.53
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
MLYCD O95822 1/20 0.47
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
DDT P30046 1/20 0.46
DHFR P00374 1/20 0.46
JAK2 O60674 2/20 0.46
P2RX7 Q99572 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2715111 0.90 TACR1 (0.49) KMT2ATSHRMMP13MEN1ALDH1A1
SCHEMBL2713826 0.87 MMP13 (0.52) KMT2ATSHRMMP13MEN1HRH4
SCHEMBL2717448 0.86 TACR1 (0.44) KMT2ATSHRMMP13MEN1ALDH1A1
SCHEMBL2715561 0.86 EPHX2 (0.55) KMT2ATSHRMMP13GLS
SCHEMBL2715356 0.85 AURKA (0.52) KMT2ATSHRMMP13MEN1HRH4
SCHEMBL2713745 0.85 MMP13 (0.47) KMT2ATSHRMMP13ALDH1A1JAK2
SCHEMBL18266292 0.84 EPHX2 (0.47) KMT2ATSHRMMP13JAK2GLS
SCHEMBL2713248 0.84 MMP13 (0.50) KMT2ATSHRMMP13MEN1HRH4
SCHEMBL2718865 0.84 MMP13 (0.56) KMT2ATSHRMMP13P2RX7
SCHEMBL2717221 0.83 KMT2A (0.60) KMT2ATSHRMMP13MEN1ALDH1A1

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 KMT2A 1036/4885TSHR 574/4885MMP13 4437/4885

“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.