SCHEMBL4134044

SCHEMBL4134044

COc1cc(/C=C/C(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC(=O)CCCBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.55
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.48
JAK2 O60674 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
AKR1C3 P42330 1/20 0.48
FDPS P14324 1/20 0.47
CCR5 P51681 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL7101273 1.00 TOP2A (0.55) TOP2AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL8028311 0.88 TOP2A (0.51) TOP2AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4395475 0.86 CA12 (0.56) TOP2AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL1535310 0.86 CA12 (0.56) TOP2AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4137665 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4137658 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL20085755 0.82 TOP2A (0.57) TOP2AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4129512 0.80 EPHX2 (0.66) TOP2AALDH1A1KDM4EKMT2AMAPT
SCHEMBL13777352 0.80 SMN1; SMN2 (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4129510 0.80 EPHX2 (0.66) TOP2AALDH1A1KDM4EKMT2AMAPT

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 TOP2A 1071/4885ALDH1A1 665/4885KDM4E 3984/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 TOP2A 1043/4885ALDH1A1 626/4885KDM4E 2184/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 TOP2A 601/4885ALDH1A1 790/4885KDM4E 4320/4885

“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.