SCHEMBL1083138

SCHEMBL1083138

COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
SLC6A5 Q9Y345 1/20 0.61
MAPT P10636 8/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 7/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
EED O75530 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52
HPGDS O60760 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 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
SCHEMBL1030874 0.83 KDM4E (0.67) KDM4ESLC6A5MAPTLMNAALDH1A1
SCHEMBL12400497 0.83 KDM4E (0.59) KDM4EMAPTLMNAALDH1A1HTT
SCHEMBL1029645 0.83 KDM4E (0.63) KDM4ESLC6A5MAPTLMNAALDH1A1
SCHEMBL1028007 0.82 KDM4E (0.62) KDM4ESLC6A5MAPTALDH1A1MEN1
SCHEMBL1029646 0.82 KDM4E (0.62) KDM4ESLC6A5MAPTLMNAALDH1A1
Formaldehyde SCHEMBL1032419 0.82 KDM4E (0.65) KDM4ESLC6A5MAPTLMNAALDH1A1
SCHEMBL3185686 0.79 KDM4E (0.61) KDM4ESLC6A5MAPTLMNAALDH1A1
SCHEMBL4423010 0.78 SLC6A5 (0.74) SLC6A5MAPTLMNAALDH1A1HTT
SCHEMBL1580405 0.78 MAPT (0.86) KDM4ESLC6A5MAPTLMNAALDH1A1
SCHEMBL14758395 0.78 ALDH1A1 (0.81) KDM4EMAPTLMNAALDH1A1HTT

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 236/4885SLC6A5 4094/4885MAPT 4810/4885

“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.