SCHEMBL2135336

SCHEMBL2135336

CCOC(=O)/C=C/c1cccc2ccn(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 2/20 0.38
CYP3A4 P08684 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL2137394 0.85 L3MBTL1 (0.46) L3MBTL1RAPGEF4LMNAKMT2AKDM4E
SCHEMBL2137392 0.85 L3MBTL1 (0.46) L3MBTL1RAPGEF4LMNAKMT2AKDM4E
SCHEMBL18255134 0.83 HDAC3 (0.56) NOD2NOD1RAPGEF4LMNAKMT2A
SCHEMBL8358218 0.78 HDAC1 (0.46) L3MBTL1RAPGEF4KMT2ACA2CA9
SCHEMBL8354469 0.78 HDAC3 (0.47) L3MBTL1LMNAKMT2ATSHRALDH1A1
SCHEMBL2137608 0.78 L3MBTL1 (0.52) L3MBTL1NOD1RAPGEF4PKMLMNA
SCHEMBL2135350 0.77 L3MBTL1 (0.43) L3MBTL1NOD2NOD1RAPGEF4LMNA
SCHEMBL2135343 0.77 L3MBTL1 (0.43) L3MBTL1NOD2NOD1RAPGEF4LMNA
SCHEMBL2134760 0.77 HDAC3 (0.55) CA2CA9CYP3A4HDAC3HDAC4
SCHEMBL17240529 0.77 HDAC1 (0.58) L3MBTL1NOD2NOD1CCNCCDK8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US 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 (2 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H L3MBTL1 3988/4885NOD2 631/4885NOD1 719/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H L3MBTL1 3977/4885NOD2 622/4885NOD1 714/4885

“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.