SCHEMBL12760733

SCHEMBL12760733

COc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 1.00
CYP19A1 P11511 2/20 0.71
PTGS2 P35354 2/20 0.61
PTGS1 P23219 1/20 0.61
RELA Q04206 4/20 0.61
MAPT P10636 3/20 0.60
TXNRD1 Q16881 1/20 0.60
TXNRD3 Q86VQ6 1/20 0.60
TXNRD2 Q9NNW7 1/20 0.60
FBP1 P09467 2/20 0.58
VCP P55072 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
TLR9 Q9NR96 1/20 0.57
APP P05067 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL12760734 1.00 NFE2L2 (1.00) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL9785833 0.91 NFE2L2 (0.83) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL9785831 0.91 NFE2L2 (0.83) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL1405381 0.89 NFE2L2 (0.81) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL1405379 0.89 NFE2L2 (0.81) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL11301074 0.87 CYP19A1 (0.93) NFE2L2CYP19A1MAPTFBP1VCP
SCHEMBL11301072 0.87 CYP19A1 (0.93) NFE2L2CYP19A1MAPTFBP1VCP
SCHEMBL1405454 0.85 PTGS2 (0.75) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL1405456 0.85 PTGS2 (0.75) NFE2L2CYP19A1PTGS2PTGS1RELA
SCHEMBL1005734 0.84 PTGS2 (0.78) NFE2L2CYP19A1PTGS2PTGS1MAPT

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
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity ABIVAX (FR) 2020-01-21 US disclosed
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY ABIVAX (FR) 2018-05-10 US disclosed
US-9890112-B2 Compounds for use as therapeutic agents affecting p53 expression and/or activity ABIVAX (FR) 2018-02-13 US disclosed
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIETE SPLICOS (FR) 2014-07-24 US disclosed
EP-2694061-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY Société Splicos (FR) 2014-02-12 EP disclosed
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 WO disclosed
EP-2505198-A1 Compounds for use as therapeutic agents affecting p53 expression and/or activity Société Splicos (FR) 2012-10-03 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 (3 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-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, TP53BP1, BCOR NFE2L2 1922/4885CYP19A1 2298/4885PTGS2 4367/4885
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity TP53, TP53BP1, BCOR NFE2L2 1922/4885CYP19A1 2298/4885PTGS2 4367/4885
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, CBR3, TP53BP1 NFE2L2 2308/4885CYP19A1 2173/4885PTGS2 4482/4885

“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.