SCHEMBL13733774

SCHEMBL13733774

COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C(=O)OC)c3ccccc3)n2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CYP1A2 P05177 11/20 0.42
CYP3A4 P08684 11/20 0.42
TSHR P16473 11/20 0.42
CYP2C19 P33261 10/20 0.42
CYP2D6 P10635 8/20 0.42
USP2 O75604 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX15 P16050 5/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL13733770 1.00 MAPT (0.45) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL15472313 0.92 MAPT (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL25637792 0.82 CYP1A2 (0.49) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL21104428 0.77 MAPT (0.44) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL13733067 0.76 MAPT (0.45) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL13731823 0.73 CYP1A2 (0.51) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL15472311 0.69 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL27891369 0.68 APLNR (0.47) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL3832046 0.67 CYP1A2 (0.51) MAPTCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL1265347 0.67 CYP1A2 (0.51) MAPTCYP1A2CYP3A4TSHRCYP2C19

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 7 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

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 165/4885CYP1A2 134/4885CYP3A4 138/4885
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 165/4885CYP1A2 134/4885CYP3A4 138/4885

“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.