SCHEMBL15466529

SCHEMBL15466529

COC(=O)[C@H](C)Nc1nc(NCc2ccc(OC)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
EGFR P00533 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
PRKCQ Q04759 1/20 0.42
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL13732751 1.00 MAPT (0.55) MAPTNPC1KMT2ARAB9AALDH1A1
SCHEMBL13826399 0.92 MAPT (0.57) MAPTNPC1KMT2ARAB9AALDH1A1
SCHEMBL15472354 0.91 MAPT (0.48) MAPTNPC1KMT2ARAB9AALDH1A1
SCHEMBL9111109 0.82 MAPT (0.47) MAPTKMT2AALDH1A1HTT
SCHEMBL8316618 0.82 MAPT (0.47) MAPTKMT2AALDH1A1HTT
SCHEMBL9984796 0.75 NPC1 (0.54) MAPTNPC1KMT2ARAB9AALDH1A1
SCHEMBL13731224 0.74 MAPT (0.49) MAPTKMT2AALDH1A1HTT
SCHEMBL13731227 0.74 MAPT (0.49) MAPTKMT2AALDH1A1HTT
SCHEMBL9110706 0.74 MAPT (0.65) MAPTKMT2AALDH1A1HPGDGAA
SCHEMBL22770018 0.74 MAPT (0.46) MAPTKMT2AALDH1A1HTT

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-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-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-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
US-9155743-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-10-13 US disclosed
US-20140045831-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-02-13 US disclosed
US-20140045831-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-02-13 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 165/4885NPC1 962/4885KMT2A 2470/4885
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 165/4885NPC1 962/4885KMT2A 2470/4885

“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.