SCHEMBL4129510

SCHEMBL4129510

COc1cc(/C=C/C(=O)Oc2ccc(NC(C)=O)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.66
KDM1A O60341 6/20 0.63
APP P05067 3/20 0.60
MAPT P10636 5/20 0.59
GAA P10253 4/20 0.59
CYP2D6 P10635 3/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX5 P09917 2/20 0.59
NFKB1 P19838 2/20 0.59
HSD11B1 P28845 2/20 0.59
STAT3 P40763 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
NFE2L2 Q16236 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59

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
SCHEMBL4129512 1.00 EPHX2 (0.66) EPHX2KDM1AAPPMAPTGAA
SCHEMBL13777352 0.88 SMN1; SMN2 (0.61) EPHX2KDM1AMAPTGAAKDM4E
SCHEMBL4137658 0.87 ALDH1A1 (0.65) MAPTGAAKDM4ENFKB1MEN1
SCHEMBL4137665 0.87 ALDH1A1 (0.65) MAPTGAAKDM4ENFKB1MEN1
SCHEMBL28033143 0.86 EPHX2 (0.74) EPHX2KDM1AAPPMAPTGAA
SCHEMBL3219391 0.85 APP (0.78) KDM1AAPPMAPTGAACYP2D6
SCHEMBL3219382 0.85 APP (0.78) KDM1AAPPMAPTGAACYP2D6
SCHEMBL13777320 0.85 SMN1; SMN2 (0.49) EPHX2KDM1AMAPTGAAKDM4E
SCHEMBL25200185 0.84 CXCL12 (0.71) KDM1AAPPMEN1KMT2AABCG2
SCHEMBL28579544 0.84 EPHX2 (0.70) EPHX2KDM1AAPPMAPTGAA

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
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 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 (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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 EPHX2 569/4885KDM1A 2804/4885APP 1816/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 EPHX2 435/4885KDM1A 2338/4885APP 1489/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 EPHX2 495/4885KDM1A 2752/4885APP 2303/4885

“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.