SCHEMBL19476100

SCHEMBL19476100

O=C(Nc1ccccc1-c1ccccc1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
ALDH1A1 P00352 2/20 0.74
ALOX15 P16050 1/20 0.74
KDM4E B2RXH2 1/20 0.64
ATM Q13315 1/20 0.64
HDAC1 Q13547 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
ABCB1 P08183 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
NPC1 O15118 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
SCHEMBL29516927 0.87 NPC1 (0.70) TSHRALDH1A1ALOX15KDM4EATM
SCHEMBL7989152 0.84 HDAC1 (0.77) ALDH1A1KDM4EHDAC1HDAC3HDAC4
SCHEMBL3807218 0.83 HDAC1 (0.54) TSHRALDH1A1ALOX15KDM4EATM
SCHEMBL19476138 0.82 ALDH1A1 (0.63) TSHRALDH1A1ALOX15KDM4EATM
SCHEMBL8074225 0.81 TDP1 (0.85) TSHRALDH1A1ALOX15KDM4EATM
SCHEMBL31497724 0.80 ALDH1A1 (0.57) TSHRALDH1A1ALOX15KDM4EATM
SCHEMBL12197997 0.79 GRM4 (0.73) KDM4ENPC1RAB9ALMNA
SCHEMBL4522324 0.79 HDAC1 (0.69) ALDH1A1KDM4EHDAC1HDAC3HDAC4
SCHEMBL18906043 0.79 HDAC1 (0.64) ALDH1A1KDM4EHDAC1HDAC3HDAC4
SCHEMBL30626271 0.79 HDAC1 (0.52) TSHRALDH1A1ALOX15KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004248-B Method for synthesizing carbazole compound by catalyzing hydrocarbon amination reaction with cobalt 绍兴文理学院 2022-11-18 CN disclosed
CN-113004248-A Method for synthesizing carbazole compound by catalyzing hydrocarbon amination reaction with cobalt 绍兴文理学院 2021-06-22 CN 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
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 79/4885ALOX15 312/4885
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 79/4885ALOX15 312/4885

“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.