SCHEMBL1028007

SCHEMBL1028007

COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OCCCN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
DRD2 P14416 3/20 0.58
HTR2A P28223 2/20 0.58
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLC6A5 Q9Y345 1/20 0.53
HTR1A P08908 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 1/20 0.52
MAPT P10636 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL1029645 0.90 KDM4E (0.63) KDM4EDRD2HTR2AALDH1A1SLC6A5
SCHEMBL1030874 0.85 KDM4E (0.67) KDM4EALDH1A1SLC6A5MEN1KMT2A
SCHEMBL1026944 0.85 DRD2 (0.62) KDM4EDRD2HTR2AALDH1A1TDP1
Formaldehyde SCHEMBL1032419 0.84 KDM4E (0.65) KDM4EALDH1A1SLC6A5MEN1KMT2A
SCHEMBL1083138 0.82 KDM4E (0.67) KDM4EALDH1A1SLC6A5MEN1KMT2A
SCHEMBL3185686 0.81 KDM4E (0.61) KDM4EALDH1A1SLC6A5MEN1KMT2A
SCHEMBL1029646 0.80 KDM4E (0.62) KDM4EALDH1A1SLC6A5MEN1KMT2A
SCHEMBL13532869 0.80 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL14069968 0.79 DRD2 (0.55) KDM4EDRD2HTR2AALDH1A1TDP1
SCHEMBL3407475 0.78 SLC6A2 (0.61) KDM4EDRD2ALDH1A1TDP1HTR1A

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 236/4885DRD2 4035/4885HTR2A 1320/4885

“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.