SCHEMBL19476395

SCHEMBL19476395

COc1cc2cc(C(=O)Nc3ccccc3Oc3ccccc3)[nH]c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 5/20 0.51
RXFP1 Q9HBX9 1/20 0.50
TP53 P04637 1/20 0.50
SRD5A1 P18405 1/20 0.50
SRD5A2 P31213 1/20 0.50
XDH P47989 1/20 0.48
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.46
PYGM P11217 1/20 0.46

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
SCHEMBL19476090 0.88 KDM4E (0.71) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL19476394 0.88 MEN1 (0.58) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL19476167 0.84 NPC1 (0.60) RAB9AALDH1A1KDM4ENPC1TDP1
SCHEMBL19476093 0.84 KMT2A (0.59) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL19476141 0.84 TP53 (0.65) RAB9AALDH1A1KDM4EMAPTKMT2A
SCHEMBL19476077 0.83 KDM4E (0.54) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL19476165 0.79 NPC1 (0.64) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL19476080 0.77 CYP1A2 (0.52) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL19476391 0.75 L3MBTL1 (0.59) RAB9AMAPTTDP1L3MBTL1ATM
SCHEMBL12368199 0.75 RAB9A (0.89) RAB9AALDH1A1MAPTMEN1KMT2A

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 3 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
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 RAB9A 2403/4885ALDH1A1 79/4885KDM4E 3660/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 RAB9A 2403/4885ALDH1A1 79/4885KDM4E 3660/4885

“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.