SCHEMBL1809453

SCHEMBL1809453

O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
OXTR P30559 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR183 P32249 1/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL1808151 0.90 LMNA (0.53) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL1806565 0.83 HPGD (0.56) HTTCYP2C9HRH3KMT2AALDH1A1
SCHEMBL1806630 0.80 HRH3 (0.64) HTTHRH3MEN1KMT2AALDH1A1
SCHEMBL1809973 0.80 GRIA3 (0.57) HTTCYP2C9HRH3KMT2AALDH1A1
SCHEMBL3090019 0.80 HRH3 (0.67) LMNAHTTCYP3A4GAACYP2C9
SCHEMBL1810610 0.79 LMNA (0.54) LMNAHTTHRH3ALDH1A1DPP4
SCHEMBL1808684 0.78 HRH3 (0.50) LMNAHTTHRH3MEN1KMT2A
SCHEMBL1808860 0.77 MGLL (0.68) CYP2C9HRH3KMT2AMAPT
SCHEMBL1806499 0.77 HRH3 (0.55) CYP2C9HRH3KMT2AMAPT
SCHEMBL1807115 0.76 HPGD (0.52) GAAHRH3NPC1RAB9AMEN1

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 9 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
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 LMNA 3683/4885HTT 956/4885CYP3A4 1431/4885

“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.