SCHEMBL19476106

SCHEMBL19476106

O=C(Nc1ccccc1-c1ccccc1)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 1.00
ALDH1A1 P00352 6/20 0.80
MAPT P10636 4/20 0.80
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.63
HDAC1 Q13547 1/20 0.62
RAB9A P51151 1/20 0.61
HTT P42858 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 3/20 0.59
ESR2 Q92731 1/20 0.59
USP2 O75604 2/20 0.58
TP53 P04637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 2/20 0.57
ATM Q13315 2/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL14578067 0.80 TSHR (0.65) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15528812 0.79 MAPK1 (0.71) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6635707 0.79 SMN1; SMN2 (0.69) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6284012 0.78 TSHR (0.64) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL18906005 0.78 TSHR (0.64) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30587183 0.78 SMN1; SMN2 (1.00) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6638142 0.78 ATM (0.77) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6633552 0.78 SMN1; SMN2 (1.00) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30117825 0.78 RAB9A (0.74) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6632751 0.78 RAB9A (0.74) TSHRALDH1A1MAPTKMT2ASMN1; SMN2

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 TSHR 190/4885ALDH1A1 79/4885MAPT 4463/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 TSHR 190/4885ALDH1A1 79/4885MAPT 4463/4885

“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.