SCHEMBL9110706

SCHEMBL9110706

COC(=O)C(C)Nc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
HTT P42858 1/20 0.61
MERTK Q12866 1/20 0.44
ALDH1A1 P00352 3/20 0.42
FGFR4 P22455 3/20 0.41
RPS6KB2 Q9UBS0 2/20 0.41
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TXNRD1 Q16881 2/20 0.36
GSR P00390 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL8313767 1.00 MAPT (0.65) MAPTHTTMERTKALDH1A1FGFR4
SCHEMBL13731224 0.87 MAPT (0.49) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL13731227 0.87 MAPT (0.49) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL9111109 0.85 MAPT (0.47) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL8316618 0.85 MAPT (0.47) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL22770018 0.84 MAPT (0.46) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL16237490 0.84 MAPT (0.65) MAPTHTTMERTKALDH1A1FGFR4
SCHEMBL16237940 0.84 MAPT (0.65) MAPTHTTMERTKALDH1A1FGFR4
SCHEMBL16775771 0.82 MAPT (0.61) MAPTHTTMERTKALDH1A1FGFR4
SCHEMBL16238623 0.82 MAPT (0.61) MAPTHTTMERTKALDH1A1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699574-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2019-06-19 EP disclosed
US-9458158-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2016-10-04 US disclosed
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2016-03-24 US disclosed
US-9155743-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-10-13 US disclosed
EP-2699574-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2014-02-26 EP disclosed
US-20140045831-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-02-13 US disclosed
WO-2012143725-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-10-26 WO disclosed
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US 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-20140045831-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, CCNO MAPT 165/4885HTT 323/4885MERTK 2542/4885
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, CCNO MAPT 165/4885HTT 323/4885MERTK 2542/4885

“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.