SCHEMBL1809388

SCHEMBL1809388

COc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 2/20 0.58
PDE4B Q07343 2/20 0.54
MGLL Q99685 2/20 0.54
TRPV6 Q9H1D0 2/20 0.53
HRH3 Q9Y5N1 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 1/20 0.49
PTPN7 P35236 1/20 0.49
DUSP3 P51452 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48

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
SCHEMBL1806122 0.91 PDE4B (0.54) KMT2AMEN1GAAPDE4BMGLL
SCHEMBL1806591 0.91 KDM4E (0.60) KMT2AMEN1PDE4BMGLLHRH3
SCHEMBL1807918 0.89 MGLL (0.54) KMT2AMEN1PDE4BMGLLHRH3
SCHEMBL1805898 0.89 HSD11B1 (0.60) KMT2AMEN1PDE4BMGLLHRH3
SCHEMBL1808791 0.89 MGLL (0.53) KMT2AMEN1GAAPDE4BMGLL
SCHEMBL1806414 0.86 HRH3 (0.53) KMT2AMEN1MGLLHRH3ALDH1A1
SCHEMBL1806499 0.86 HRH3 (0.55) KMT2AMGLLHRH3MAPT
SCHEMBL12188706 0.86 MGLL (0.53) KMT2AMEN1PDE4BMGLLHRH3
SCHEMBL1809057 0.85 MGLL (0.73) KMT2AMEN1GAAMGLLHRH3
SCHEMBL1810631 0.84 MGLL (0.58) MGLLHRH3

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 KMT2A 1032/4885MEN1 4046/4885GAA 1906/4885

“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.