SCHEMBL1806591

SCHEMBL1806591

COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.57
MGLL Q99685 2/20 0.56
PDE4B Q07343 2/20 0.54
PDE4D Q08499 2/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HRH3 Q9Y5N1 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL1807918 0.91 MGLL (0.54) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL1805898 0.91 HSD11B1 (0.60) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL1809388 0.91 KMT2A (0.58) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL1806122 0.91 PDE4B (0.54) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL12188706 0.90 MGLL (0.53) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL1808791 0.88 MGLL (0.53) KDM4ELMNAMGLLPDE4BPDE4D
SCHEMBL1808347 0.87 MGLL (0.53) KDM4EMGLLPDE4BPDE4DKMT2A
SCHEMBL1809057 0.87 MGLL (0.73) LMNAMGLLKMT2AMEN1HRH3
SCHEMBL1806630 0.85 HRH3 (0.64) MGLLKMT2AMEN1HRH3ALDH1A1
SCHEMBL1809338 0.84 MGLL (0.73) MGLLKMT2AMEN1ALDH1A1

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 KDM4E 1141/4885LMNA 3683/4885MGLL 4513/4885

“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.