SCHEMBL19476117

SCHEMBL19476117

O=C(Nc1ccccc1Oc1ccccc1)C1CCCN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
PKM P14618 2/20 0.65
ADRA2C P18825 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
KDM4E B2RXH2 2/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL19476103 0.84 SMN1; SMN2 (0.63) PKMSMN1; SMN2KMT2AL3MBTL1KDM4E
SCHEMBL23373378 0.82 PFKFB3 (0.61) SMN1; SMN2HTR2CHTR2BPOLBPFKFB2
SCHEMBL1294945 0.79 HDAC2 (0.60) HTR2CHTR2BHDAC3HDAC4HDAC1
SCHEMBL1294947 0.79 HDAC2 (0.60) HTR2CHTR2BHDAC3HDAC4HDAC1
SCHEMBL11785308 0.79 HDAC2 (0.48) PKMSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12057635 0.79 HDAC2 (0.48) PKMSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7692266 0.78 HDAC2 (0.50) GAASMN1; SMN2HTR2CHTR2BLMNA
SCHEMBL7692271 0.78 HDAC2 (0.50) GAASMN1; SMN2HTR2CHTR2BLMNA
SCHEMBL13865080 0.77 HDAC2 (0.64) MEN1KMT2AKDM4ETDP1HDAC3
SCHEMBL10327138 0.77 HDAC2 (0.64) MEN1KMT2AKDM4ETDP1HDAC3

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 1617/4885PKM 2880/4885ADRA2C 1971/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 GAA 1617/4885PKM 2880/4885ADRA2C 1971/4885

“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.