SCHEMBL10697343

SCHEMBL10697343

COC(=O)CNc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.45
MERTK Q12866 1/20 0.45
TXNRD1 Q16881 2/20 0.42
FGFR4 P22455 3/20 0.41
RPS6KB2 Q9UBS0 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GSR P00390 1/20 0.39
PKM P14618 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 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
SCHEMBL1812091 0.88 MAPT (0.68) MAPTHTTLMNAMERTKTXNRD1
SCHEMBL31063164 0.88 MAPT (0.68) MAPTHTTLMNAMERTKTXNRD1
SCHEMBL16712117 0.85 MAPT (0.52) MAPTHTTLMNATXNRD1FGFR1
SCHEMBL4305170 0.84 TXNRD1 (0.56) MAPTHTTLMNATXNRD1GSR
SCHEMBL16563779 0.82 MAPT (0.49) MAPTHTTLMNATXNRD1MEN1
SCHEMBL31515714 0.80 MAPT (0.59) MAPTHTTLMNAMERTKTXNRD1
SCHEMBL1978817 0.80 MAPT (0.67) MAPTHTTMERTKTXNRD1FGFR4
SCHEMBL30154422 0.80 MAPT (0.67) MAPTHTTMERTKTXNRD1FGFR4
SCHEMBL8246245 0.80 MAPT (0.59) MAPTHTTLMNAMERTKTXNRD1
SCHEMBL1809900 0.79 MAPT (0.58) MAPTHTTLMNAMERTKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-9527841-B2 Substituted pyrido[2,3-b]pyrazines as phosphodiesterase 2A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150158863-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-11 US disclosed
EP-2873669-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-05-20 EP disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 EP disclosed
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP 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 (4 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MAPT 487/4885HTT 659/4885LMNA 3391/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MAPT 487/4885HTT 659/4885LMNA 3391/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A MAPT 487/4885HTT 659/4885LMNA 3391/4885
US-20150158863-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MAPT 708/4885HTT 698/4885LMNA 3778/4885

“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.