SCHEMBL6658490

SCHEMBL6658490

CCCC(=O)Nc1ccccc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
HPGD P15428 4/20 0.64
ALOX12 P18054 1/20 0.64
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.59
MAPT P10636 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
SCHEMBL6694932 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30738431 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11446154 0.88 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1238330 0.87 HDAC3 (0.66) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5968938 0.86 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26624031 0.86 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28824437 0.86 HDAC3 (0.69) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27291375 0.85 HDAC3 (0.84) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30738307 0.85 HPGD (0.68) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1818573 0.85 HPGD (0.68) MAPK1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1184194-C Method for producing n-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound n-(4-bromine-2-methylphenyl)-butanamide BAYER AG (DE) 2005-01-12 CN claimed
EP-1268400-B1 METHOD FOR PRODUCING N-BUTYRYL-4-AMINO-3-METHYL-METHYL BENZOATE AND THE NOVEL COMPOUND N-(4-BROMINE-2-METHYLPHENYL)-BUTANAMIDE BAYER CHEMICALS AG (DE) 2004-08-11 EP claimed
US-20040030183-A1 Method for producing N-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound N-(4-bromo-2-methylphenyl)butanamide RODEFELD LARS (DE) 2004-02-12 US claimed
US-6620962-B2 Reacting toluidine and butyryl chloride; then bromination; using palladium catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-09-16 US claimed
CN-1419535-A Process for producing N-butyryl-4-amino-3-methyl-benzoic acid methyl ester and novel compound N- (4-bromo-2-methylphenyl) butyramide BAYER AG (DE) 2003-05-21 CN claimed
US-20030065211-A1 Method for producing n-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound n-(4-bromine-2-methylphenyl)-butanamide LANXESS DEUTSCHLAND GMBH (DE) 2003-04-03 US claimed
EP-1268400-A2 METHOD FOR PRODUCING N-BUTYRYL-4-AMINO-3-METHYL-METHYL BENZOATE AND THE NOVEL COMPOUND N-(4-BROMINE-2-METHYLPHENYL)-BUTANAMIDE Bayer Aktiengesellschaft (DE) 2003-01-02 EP claimed
WO-2001072690-A2 METHOD FOR PRODUCING N-BUTYRYL-4-AMINO-3-METHYL-METHYL BENZOATE AND THE NOVEL COMPOUND N-(4-BROMINE-2-METHYLPHENYL)-BUTANAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed
CN-119968368-A Amide compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-05-09 CN disclosed
CN-117402156-A Amide compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 CN disclosed
WO-2024008196-A1 CLASS OF AMIDE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2024-01-11 WO disclosed
CN-109369649-A Matrine amide derivatives and its preparation method and application 常州大学 2019-02-22 CN disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed
US-20030065211-A1 Method for producing n-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound n-(4-bromine-2-methylphenyl)-butanamide LANXESS DEUTSCHLAND GMBH (DE) 2003-04-03 US disclosed
EP-1268400-A2 METHOD FOR PRODUCING N-BUTYRYL-4-AMINO-3-METHYL-METHYL BENZOATE AND THE NOVEL COMPOUND N-(4-BROMINE-2-METHYLPHENYL)-BUTANAMIDE Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
WO-2001072690-A2 METHOD FOR PRODUCING N-BUTYRYL-4-AMINO-3-METHYL-METHYL BENZOATE AND THE NOVEL COMPOUND N-(4-BROMINE-2-METHYLPHENYL)-BUTANAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 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-20030065211-A1 Method for producing n-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound n-(4-bromine-2-methylphenyl)-butanamide GABBR2, BBOX1, GABRB3 MAPK1 4342/4885HDAC3 833/4885HDAC4 737/4885
US-20040030183-A1 Method for producing N-butyryl-4-amino-3-methyl-methyl benzoate and the novel compound N-(4-bromo-2-methylphenyl)butanamide BRD4, GABRB3, GABBR2 MAPK1 3623/4885HDAC3 310/4885HDAC4 186/4885

“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.