SCHEMBL2139944

SCHEMBL2139944

COC(=O)C=Cc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NLRP1 Q9C000 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2139942 1.00 POLB (0.50) POLBRAB9ATDP1L3MBTL1TSHR
SCHEMBL23609099 0.84 RAB9A (0.49) POLBRAB9ATSHRSMN1; SMN2MEN1
SCHEMBL28852575 0.84 RAB9A (0.49) POLBRAB9ATSHRSMN1; SMN2MEN1
SCHEMBL31742417 0.84 RAB9A (0.49) POLBRAB9ATSHRSMN1; SMN2MEN1
SCHEMBL2059373 0.83 CA12 (0.50) L3MBTL1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2059371 0.83 CA12 (0.50) L3MBTL1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL16971212 0.83 POLB (0.44) POLBRAB9ATDP1L3MBTL1TSHR
SCHEMBL1932513 0.80 MEN1 (0.55) POLBRAB9ATDP1TSHRSMN1; SMN2
SCHEMBL2687117 0.78 MEN1 (0.71) POLBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6677087 0.78 MEN1 (0.71) POLBRAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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 POLB 4542/4885RAB9A 1179/4885TDP1 3063/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H POLB 4531/4885RAB9A 1188/4885TDP1 3112/4885

“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.