SCHEMBL19476118

SCHEMBL19476118

O=C(NCc1ccccc1)C1Cc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MC4R P32245 2/20 0.54
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CACNA1G O43497 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MASP2 O00187 1/20 0.46
F2 P00734 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ANPEP P15144 2/20 0.44
LNPEP Q9UIQ6 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL19476512 1.00 GAA (0.60) GAAMAPTMC4RUSP2ALDH1A1
SCHEMBL26398036 0.89 GAA (0.51) GAAMAPTALDH1A1HPGDCACNA1G
SCHEMBL928059 0.86 MEN1 (0.60) GAAMAPTMC4RALDH1A1MEN1
SCHEMBL30525068 0.86 MC4R (0.50) GAAMAPTMC4RMASP2F2
SCHEMBL20790812 0.86 MC4R (0.50) GAAMAPTMC4RMASP2F2
SCHEMBL30524943 0.86 MC4R (0.50) GAAMAPTMC4RMASP2F2
SCHEMBL20811938 0.86 MC4R (0.50) GAAMAPTMC4RMASP2F2
SCHEMBL12641851 0.84 CACNA1G (0.47) GAAMAPTMC4RUSP2ALDH1A1
SCHEMBL3535333 0.84 GAA (0.62) GAAMAPTMC4RMEN1KMT2A
SCHEMBL7045251 0.82 GAA (0.59) GAAMAPTMEN1KMT2AMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 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 (2 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 GAA 1617/4885MAPT 4463/4885MC4R 3418/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 GAA 1617/4885MAPT 4463/4885MC4R 3418/4885

“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.