SCHEMBL2713745

SCHEMBL2713745

Cc1cc(C(=O)NCc2ccc(C)c(C(F)(F)F)c2)nc(NC(=O)C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.47
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 4/20 0.41
KDR P35968 2/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK1 P23458 1/20 0.39
JAK2 O60674 1/20 0.39
ACKR3 P25106 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL18266476 0.93 MMP13 (0.42) MMP13TSHRKMT2AEPHX2ALDH1A1
SCHEMBL2718865 0.91 MMP13 (0.56) MMP13TSHRKMT2AEPHX2
SCHEMBL2718670 0.91 EPHX2 (0.50) MMP13TSHRKMT2AEPHX2
SCHEMBL2712675 0.89 MMP13 (0.45) MMP13TSHRKMT2AEPHX2KDR
SCHEMBL16234580 0.87 ALDH1A1 (0.43) MMP13TSHRKMT2AEPHX2ALDH1A1
SCHEMBL18266652 0.87 MMP13 (0.49) MMP13TSHRKMT2AJAK2SLC22A8
SCHEMBL18266639 0.85 EPHX2 (0.43) MMP13TSHRKMT2AEPHX2HPGD
SCHEMBL18266419 0.85 MMP13 (0.44) MMP13KMT2AEPHX2ALDH1A1KDM4E
SCHEMBL2715671 0.85 KMT2A (0.59) MMP13TSHRKMT2AALDH1A1JAK2
SCHEMBL2715183 0.84 GSK3B (0.40) MMP13TSHRKMT2AALDH1A1JAK1

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

“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.