SCHEMBL3128583

SCHEMBL3128583

N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MERTK Q12866 1/20 0.54
MAPT P10636 5/20 0.53
NPC1 O15118 2/20 0.53
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
SRD5A2 P31213 1/20 0.50
VCAM1 P19320 1/20 0.50

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
SCHEMBL57257 0.88 VCAM1 (0.61) MEN1KMT2AMAPTNPC1PKM
SCHEMBL16089350 0.88 VCAM1 (0.61) MEN1KMT2AMAPTNPC1PKM
Selenium SCHEMBL9497333 0.86 VCAM1 (0.59) MEN1KMT2AMAPTNPC1PKM
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HSPB1MEN1KMT2AMAPTNPC1
SCHEMBL9183872 0.84 HSPB1 (0.79) HSPB1MEN1KMT2AMAPTNPC1
SCHEMBL2011179 0.84 HSPB1 (0.79) HSPB1MEN1KMT2AMAPTNPC1
SCHEMBL11689190 0.84 HSPB1 (0.79) HSPB1MEN1KMT2AMAPTNPC1
SCHEMBL7429410 0.84 ALDH1A1 (0.61) HSPB1MEN1KMT2AMERTKMAPT
SCHEMBL2961542 0.82 KCNJ1 (0.55) MEN1KMT2AMAPTNPC1PKM
SCHEMBL27214761 0.82 KCNJ1 (0.55) MEN1KMT2AMAPTNPC1PKM

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed
US-20070185176-A1 Heparanase inhibitors and uses thereof INSIGHT BIOHARMACEUTICALS LTD. (IL) 2007-08-09 US disclosed
EP-1720828-A2 HEPARANASE INHIBITORS AND USES THEREOF Insight Biopharmaceuticals Ltd (IL) 2006-11-15 EP disclosed
WO-2005074375-A2 HEPARANASE INHIBITORS AND USES THEREOF INSIGHT BIOPHARMACEUTICALS LTD (IL) 2005-08-18 WO disclosed
US-6867210-B2 Aryl substituted pyrimidines EURO-CELTIQUE S.A. (LU) 2005-03-15 US disclosed
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. (LU) 2005-02-24 US disclosed
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO-CELTIQUE S.A. 2004-09-30 US disclosed
CN-1422254-A Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof EURO CELTIQUE SA (LU) 2003-06-04 CN disclosed
EP-1265866-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-12-18 EP disclosed
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof PURDUE PHARMA L.P. 2002-04-04 US disclosed
WO-2001068612-A2 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2001-09-20 WO disclosed
US-4596680-A Heating in the presence of basic catalyst two aryl carbonates INSTITUT FRANCAIS DU PETROLE (FR) 1986-06-24 US disclosed
EP-0091851-B1 PROCESS FOR PREPARING ARYL ETHERS CARRYING DIFFERENT SUBSTITUENTS ON THE TWO AROMATIC NUCLEI Institut Français du Pétrole (FR) 1986-02-19 EP disclosed
EP-0091851-A1 Process for preparing aryl ethers carrying different substituents on the two aromatic nuclei Institut Français du Pétrole (FR) 1983-10-19 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 (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-20070185176-A1 Heparanase inhibitors and uses thereof HPSE, ENGASE, HEXA HSPB1 765/4885MEN1 2391/4885KMT2A 2842/4885
US-20050043305-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, CACNA1C, KYNU HSPB1 2292/4885MEN1 4858/4885KMT2A 3260/4885
US-20040192691-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C HSPB1 1783/4885MEN1 4858/4885KMT2A 3625/4885
US-20020040025-A1 Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof CACNA1S, KYNU, CACNA1C HSPB1 1783/4885MEN1 4858/4885KMT2A 3625/4885

“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.