SCHEMBL1810127

SCHEMBL1810127

O=C(c1cc(-c2ccccc2)on1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 8/20 0.61
RAB9A P51151 8/20 0.61
KMT2A Q03164 2/20 0.61
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
SCD O00767 2/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL1808655 0.80 NPSR1 (0.49) KMT2ASMN1; SMN2MEN1HPGDMAPT
SCHEMBL1807873 0.80 CNR2 (0.49) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL1809091 0.80 SCD5 (0.85) SCD5RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL1809531 0.77 SPR (0.51) KMT2ASMN1; SMN2MEN1
SCHEMBL21523640 0.76 SCD5 (1.00) SCD5RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL12100401 0.76 SPR (0.50) RAB9AKMT2AMEN1
SCHEMBL1807793 0.75 SMN1; SMN2 (0.54) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL1806982 0.75 CNR1 (0.58) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL19000598 0.75 NPC1 (1.00) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL1810013 0.74 PTK2 (0.57) KMT2ASMN1; SMN2MEN1HPGDMAPT

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 SCD5 2324/4885RAB9A 2523/4885KMT2A 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.