SCHEMBL2139237

SCHEMBL2139237

COC(=O)c1nn(C)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
SCN9A Q15858 2/20 0.45
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ELANE P08246 3/20 0.42
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
KIF11 P52732 1/20 0.41
KDR P35968 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAT2A P31153 1/20 0.39
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2134748 0.85 SCN9A (0.45) SCN9ANPC1MEN1KMT2AKIF11
SCHEMBL29644273 0.85 SCN9A (0.45) SCN9ANPC1MEN1KMT2AKIF11
SCHEMBL19128015 0.82 ELANE (0.45) ELANEF2PLAUKDM4EHTR3A
SCHEMBL498049 0.79 ELANE (0.54) ELANEF2PLAUKDM4EHTR3A
SCHEMBL30258337 0.79 ELANE (0.54) ELANEF2PLAUKDM4EHTR3A
SCHEMBL2136119 0.78 ALDH1A1 (0.48) CFTRSCN9ANPC1PKMMEN1
SCHEMBL14011218 0.78 ELANE (0.44) MEN1KMT2AELANEF2PLAU
SCHEMBL22031821 0.77 ALDH1A1 (0.44) ELANEF2PLAUKDM4EHTR3A
SCHEMBL2848565 0.76 ELANE (0.61) MEN1KMT2AELANEF2PLAU
SCHEMBL14562436 0.76 ELANE (0.42) ELANEF2PLAUKDM4EHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
CN-105254557-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2016-01-20 CN disclosed
CN-105130957-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2015-12-09 CN 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
CN-102448937-A Aryl Substituted Carboxamide Derivatives As Calcium Or Sodium Channel Blockers RAQUALIA PHARMA INC 2012-05-09 CN disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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 (3 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 CFTR 204/4885SCN9A 38/4885NPC1 1282/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CFTR 204/4885SCN9A 38/4885NPC1 1302/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CFTR 15/4885SCN9A 1633/4885NPC1 830/4885

“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.