SCHEMBL1805552

SCHEMBL1805552

NS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.56
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
RBP4 P02753 1/20 0.51
HSD11B1 P28845 1/20 0.51
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
EPHX2 P34913 1/20 0.51
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL1806845 0.90 HRH1 (0.62) CACNA1BTP53KMT2AMEN1LMNA
SCHEMBL1807988 0.88 CACNA1B (0.56) CACNA1BKMT2AMEN1HSD11B1HRH1
SCHEMBL1807057 0.87 CACNA1B (0.61) CACNA1BTP53KMT2AMEN1LMNA
SCHEMBL1809629 0.87 HRH1 (0.49) CACNA1BKMT2AMEN1HRH1CCR3
SCHEMBL12188666 0.85 HRH1 (0.54) KMT2AMEN1HRH1CCR3MGLL
SCHEMBL1811152 0.85 EPHX2 (0.54) CACNA1BTP53KMT2AMEN1LMNA
SCHEMBL1809379 0.82 EPHX2 (0.55) CACNA1BTP53KMT2AMEN1LMNA
SCHEMBL1807950 0.82 HRH1 (0.53) TP53KMT2AMEN1POLBHRH1
SCHEMBL1805312 0.81 HRH1 (0.54) CACNA1BKMT2AMEN1LMNAPOLB
SCHEMBL1806770 0.80 EPHX2 (0.51) TP53KMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CACNA1B 17/4885TP53 4782/4885KMT2A 1032/4885

“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.