SCHEMBL1026344

SCHEMBL1026344

COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(N)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TACR3 P29371 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.52
EED O75530 1/20 0.52
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL1028006 0.92 MEN1 (0.53) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL3185686 0.91 KDM4E (0.61) ALDH1A1TSHRMAPTHTTNPC1
SCHEMBL12792438 0.87 NPC1 (0.57) TSHRHTTNPC1RAB9AMEN1
SCHEMBL1029417 0.87 SLC6A7 (0.56) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL12791593 0.86 APP (0.56) ALDH1A1TSHRMAPTHTTNPC1
SCHEMBL12955316 0.86 ALDH1A1 (0.55) ALDH1A1TSHRMAPTHTTNPC1
SCHEMBL1026312 0.85 ALDH1A1 (0.61) ALDH1A1TSHRMAPTHTTNPC1
SCHEMBL12791622 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1030874 0.85 KDM4E (0.67) ALDH1A1TSHRMAPTHTTNPC1
SCHEMBL12792444 0.85 HSD17B10 (0.59) ALDH1A1TSHRMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309726-B2 Substituted piperazine compounds of formula 8 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-13 US claimed
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
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
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 ALDH1A1 584/4885TSHR 3947/4885MAPT 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.