Sugi Predict

Sugi Predict / Compounds / SCHEMBL3083971

SCHEMBL3083971

SCHEMBL3083971

O=C(NCc1ccccc1)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.75
▸ KMT2A Q03164 2/20 0.69
▸ KDR P35968 1/20 0.66
▸ MMP13 P45452 1/20 0.66
▸ HDAC3 O15379 1/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ HDAC1 Q13547 1/20 0.64
▸ HDAC7 Q8WUI4 1/20 0.64
▸ HDAC2 Q92769 1/20 0.64
▸ HDAC10 Q969S8 1/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ HDAC8 Q9BY41 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ HDAC9 Q9UKV0 1/20 0.64
▸ HDAC5 Q9UQL6 1/20 0.64
▸ HPGD P15428 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HPGDS O60760 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.59

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
SCHEMBL29733373 1.00 HTT (0.75) HTTKMT2AKDRMMP13HDAC3
Hydrochloric Acid SCHEMBL27924615 0.98 HTT (0.73) HTTKMT2AKDRMMP13HDAC3
SCHEMBL7986921 0.90 HTT (0.71) HTTKMT2AKDRMMP13HDAC3
SCHEMBL1316772 0.90 HTT (0.71) HTTKMT2AKDRMMP13HDAC3
SCHEMBL4060215 0.89 KMT2A (0.68) HTTKMT2AKDRMMP13HDAC3
SCHEMBL3550399 0.87 KMT2A (0.71) HTTKMT2AKDRMMP13HDAC3
SCHEMBL27877038 0.87 KMT2A (0.68) HTTKMT2AHDAC3HDAC4HDAC1
SCHEMBL8373059 0.87 KMT2A (0.67) HTTKMT2AKDRHDAC3HDAC4
SCHEMBL18715392 0.87 SMN1; SMN2 (0.68) HTTKMT2AHDAC3HDAC4HDAC1
SCHEMBL29800992 0.86 HTT (1.00) HTTKMT2AMMP13HPGDALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 — — CN claimed
CN-114890856-A Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2022-08-12 — — CN claimed
CN-104540825-B Azaindole quinoline compound 霍夫曼-拉罗奇有限公司 2017-10-24 — — CN claimed
US-4566899-A Selective herbicidal benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1986-01-28 — — US claimed
EP-0112262-A1 Benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1984-06-27 — — EP claimed
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 — — CN disclosed
CN-117187840-A Method for electrochemically synthesizing pyridine carboxamide compound 阜阳师范大学 2023-12-08 — — CN disclosed
CN-111808023-B Method for preparing 3-aryl isoquinoline derivative 四川大学 2022-10-21 — — CN disclosed
CN-114890856-A Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2022-08-12 — — CN disclosed
CN-111808023-A Novel method for preparing 3-arylisoquinoline derivative 四川大学 2020-10-23 — — 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-0755374-A1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION Merck & Co., Inc. (a New Jersey corp.) (US) 1997-01-29 — — EP disclosed
US-5502165-A AMIDATION OF CARBOXY COMPOOUND WITH AMINE IN WATER AND SOLVENT MERCK & CO., INC. (US) 1996-03-26 — — US disclosed
WO-1995027727-A2 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO., INC. (US) 1995-10-19 — — WO disclosed
WO-1995025101-A1 PYRIDIL ETHYLATION OF LACTAMS MERCK & CO., INC. (US) 1995-09-21 — — WO disclosed
US-4566899-A Selective herbicidal benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1986-01-28 — — US disclosed
US-4566899-A Selective herbicidal benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1986-01-28 — — US disclosed
EP-0112262-A1 Benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1984-06-27 — — EP disclosed
EP-0112262-A1 Benzylcarbamoylpyridine derivatives RHONE-POULENC AGROCHIMIE (FR) 1984-06-27 — — EP 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 HTT 2764/4885KMT2A 1850/4885KDR 1005/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 HTT 2764/4885KMT2A 1850/4885KDR 1005/4885

“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.