SCHEMBL4133820

SCHEMBL4133820

COc1cc(C=CC(=O)OCCCCBr)ccc1OC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
TTR P02766 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4133818 1.00 ALOX5 (0.56) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13997727 0.92 ALOX5 (0.56) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13589472 0.89 ALOX5 (0.54) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4126593 0.88 CA12 (0.66) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4126589 0.88 CA12 (0.66) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28559836 0.81 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL30114927 0.81 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL27597774 0.81 MEN1 (0.55) ALOX5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29120857 0.80 ALOX5 (0.68) ALOX5TTRJUNNFKB1FDPS
SCHEMBL22511006 0.80 SMN1; SMN2 (0.61) ALOX5SMN1; SMN2MEN1KMT2AMAPT

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 12 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
US-7378437-B2 Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B)b0-(C)c0-NO2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking NICOX S.A. (FR) 2008-05-27 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
US-20040023890-A1 Drugs for diabetes 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
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed
WO-2002030867-A2 DRUGS FOR DIABETES 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 (4 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 ALOX5 229/4885SMN1; SMN2 3224/4885MEN1 4805/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 ALOX5 255/4885SMN1; SMN2 3563/4885MEN1 4552/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 ALOX5 632/4885SMN1; SMN2 2493/4885MEN1 2531/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 ALOX5 217/4885SMN1; SMN2 3665/4885MEN1 4828/4885

“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.