SCHEMBL1028166

SCHEMBL1028166

COc1cc(C(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
SLC6A7 Q99884 1/20 0.52
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1029642 0.92 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL1029089 0.91 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL1030874 0.88 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL13673812 0.87 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHTT
Formaldehyde SCHEMBL1032419 0.86 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL1029417 0.85 SLC6A7 (0.56) KDM4ESLC6A7ALDH1A1LMNATP53
SCHEMBL1029537 0.85 KDM4E (0.60) KDM4ETLR9TLR7
SCHEMBL20784420 0.84 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL3185686 0.84 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20059771 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP claimed
EP-2150527-A2 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2010-02-10 EP claimed
US-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-01-21 US claimed
WO-2008114275-A2 ANTHRANILIC ACID DERIVATIVES AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-25 WO claimed
US-8309726-B2 Substituted piperazine compounds of formula 8 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-13 US disclosed
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP disclosed
EP-2150527-A2 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2010-02-10 EP disclosed
US-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-01-21 US disclosed
WO-2008114275-A2 ANTHRANILIC ACID DERIVATIVES AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-25 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 (1 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-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof AADAC, API5, APEH KDM4E 236/4885SLC6A7 1926/4885ALDH1A1 584/4885

“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.