SCHEMBL19476394

SCHEMBL19476394

COc1ccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
FLT3 P36888 2/20 0.55
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
PYGM P11217 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
PYGL P06737 1/20 0.48
MTNR1B P49286 1/20 0.47

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 0.91 KDM4E (0.71) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19476395 0.88 RAB9A (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19476167 0.86 NPC1 (0.60) ALDH1A1KDM4ERAB9ANPC1FLT3
SCHEMBL20966547 0.83 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17149669 0.82 KMT2A (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19476093 0.81 KMT2A (0.59) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL19476141 0.81 TP53 (0.65) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL19476077 0.80 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19476159 0.79 NPC1 (0.70) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19476165 0.78 NPC1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 3912/4885KMT2A 1850/4885ALDH1A1 79/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 MEN1 3912/4885KMT2A 1850/4885ALDH1A1 79/4885

“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.