SCHEMBL19476128

SCHEMBL19476128

Cc1ccc(NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.83
MAPT P10636 7/20 0.83
MEN1 O00255 4/20 0.83
KMT2A Q03164 4/20 0.83
KDM4E B2RXH2 4/20 0.83
USP2 O75604 3/20 0.83
LMNA P02545 2/20 0.83
CASP1 P29466 2/20 0.83
HBB P68871 2/20 0.83
MAPK1 P28482 2/20 0.83
THRB P10828 2/20 0.83
ALOX12 P18054 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
HPGD P15428 1/20 0.83
HTT P42858 1/20 0.83
CASP7 P55210 1/20 0.83
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
GAA P10253 4/20 0.61
INSR P06213 2/20 0.61

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
SCHEMBL13856703 0.91 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10057818 0.87 INSR (0.77) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11119339 0.84 MEN1 (0.65) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2979012 0.84 MAPT (0.64) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL19392289 0.84 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9672474 0.84 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1846002 0.84 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL854751 0.84 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2989075 0.83 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11556034 0.82 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
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
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 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 (3 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 ALDH1A1 79/4885MAPT 4463/4885MEN1 3912/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 ALDH1A1 79/4885MAPT 4463/4885MEN1 3912/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 ALDH1A1 213/4885MAPT 1200/4885MEN1 388/4885

“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.