SCHEMBL893782

SCHEMBL893782

N#Cc1cc(Cl)nc(N2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.43
CASP1 P29466 2/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
APAF1 O14727 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL31420881 0.87 CASP1 (0.48) EGLN2CASP1CASP4CASP5ALDH1A1
SCHEMBL29147917 0.87 ALDH1A1 (0.36) EGLN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL16004860 0.85 CYP1A2 (0.56) ALDH1A1HPGDPOLBMAPTMEN1
SCHEMBL3282196 0.84 LRRK2 (0.37) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL31421420 0.83 EGLN2 (0.44) EGLN2CASP1CASP4CASP5ALDH1A1
SCHEMBL3282301 0.83 PDE4D (0.46) CASP1ALDH1A1KDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL3282556 0.82 MEN1 (0.52) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL16013974 0.81 HRH3 (0.49) ALDH1A1KDM4EHPGDHRH4
SCHEMBL29668658 0.81 PANK3 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3281121 0.79 HRH4 (0.44) HRH4

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-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 EGLN2 2532/4885CASP1 744/4885CASP4 2248/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 EGLN2 1251/4885CASP1 359/4885CASP4 1249/4885

“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.