SCHEMBL480856

SCHEMBL480856

CCc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
LMNA P02545 4/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
TLR9 Q9NR96 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL480656 0.75 KDM4E (0.53) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL19374980 0.73 KDM4E (0.56) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL2449385 0.73 KDM4E (0.51) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL2445185 0.70 KDM4E (0.49) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL4058469 0.70 KDM4E (0.42) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL13492907 0.70 ADORA2A (0.36) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL9388600 0.69 KDM4E (0.47) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL8174835 0.68 NCOA1 (0.43) KDM4EMAPTSMN1; SMN2POLBNCOA1
SCHEMBL18120283 0.68 KDM4E (0.46) KDM4EMAPTSMN1; SMN2POLBMEN1
SCHEMBL480760 0.66 LMNA (0.67) KDM4EMAPTSMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KDM4E 4718/4885MAPT 1998/4885SMN1; SMN2 2770/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 KDM4E 4677/4885MAPT 2007/4885SMN1; SMN2 3941/4885

“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.