Sugi Predict

Sugi Predict / Compounds / SCHEMBL19476107

SCHEMBL19476107

SCHEMBL19476107

CCc1ccccc1NC(=O)C1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ GID4 Q8IVV7 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL10326402 0.83 SCN4A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17676978 0.83 SCN4A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10327019 0.83 SCN4A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1294945 0.82 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1294947 0.82 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7692271 0.81 HDAC2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7692266 0.81 HDAC2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2200636 0.80 CYP2C19 (0.56) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL12649141 0.80 HDAC2 (0.52) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL12837649 0.80 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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 KMT2A 1850/4885HDAC3 1319/4885HDAC4 1908/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 KMT2A 1850/4885HDAC3 1319/4885HDAC4 1908/4885

“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.