SCHEMBL1809083

SCHEMBL1809083

CCOc1cccc(OC2CCN(C(=O)c3cccc(S(=O)(=O)NC)c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.51
CCR3 P51677 5/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1810466 0.89 HRH1 (0.64) HRH1CCR3KMT2AALDH1A1MEN1
SCHEMBL1806523 0.89 HRH1 (0.49) HRH1CCR3KMT2AALDH1A1MEN1
SCHEMBL1807950 0.88 HRH1 (0.53) HRH1CCR3KMT2AALDH1A1MEN1
SCHEMBL12188803 0.87 HRH1 (0.54) HRH1CCR3KMT2AALDH1A1MEN1
SCHEMBL1808219 0.86 CACNA1B (0.54) HRH1CCR3KMT2AMEN1GAA
SCHEMBL1810459 0.78 HRH1 (0.60) HRH1CCR3KMT2AMEN1POLB
SCHEMBL1809896 0.77 ACACB (0.50) HRH1CCR3KMT2AMEN1GAA
SCHEMBL1809629 0.76 HRH1 (0.49) HRH1CCR3KMT2AMEN1GAA
SCHEMBL1810575 0.76 KMT2A (0.54) HRH1CCR3KMT2AALDH1A1MEN1
SCHEMBL1810350 0.75 LMNA (0.47) HRH1CCR3KMT2APOLBNPC1

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 HRH1 819/4885CCR3 2942/4885KMT2A 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.