SCHEMBL19476167

SCHEMBL19476167

O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CCKAR P32238 2/20 0.56
FLT3 P36888 1/20 0.54
EGFR P00533 3/20 0.53
PIK3CA P42336 3/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CCKBR P32239 1/20 0.52
ATM Q13315 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
SCHEMBL19476077 0.88 KDM4E (0.54) NPC1RAB9ALMNASMN1; SMN2FLT3
SCHEMBL19476141 0.87 TP53 (0.65) NPC1RAB9AFLT3KDM4EALDH1A1
SCHEMBL19476090 0.86 KDM4E (0.71) NPC1RAB9AFLT3KDM4EALDH1A1
SCHEMBL19476394 0.86 MEN1 (0.58) NPC1RAB9AFLT3KDM4EALDH1A1
SCHEMBL19476395 0.84 RAB9A (0.56) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL19476165 0.84 NPC1 (0.64) NPC1RAB9ALMNASMN1; SMN2CCKAR
SCHEMBL19476093 0.82 KMT2A (0.59) NPC1RAB9ALMNASMN1; SMN2FLT3
SCHEMBL19476080 0.82 CYP1A2 (0.52) NPC1RAB9ALMNASMN1; SMN2FLT3
SCHEMBL19476391 0.82 L3MBTL1 (0.59) RAB9ALMNASMN1; SMN2MAPK1TDP1
SCHEMBL13701154 0.79 NHERF1 (0.74) NPC1RAB9ALMNASMN1; SMN2CCKAR

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 NPC1 3545/4885RAB9A 2403/4885LMNA 4664/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 NPC1 3545/4885RAB9A 2403/4885LMNA 4664/4885

“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.