SCHEMBL463597

SCHEMBL463597

CC(=O)Nc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
HDAC1 Q13547 10/20 0.61
HDAC3 O15379 9/20 0.61
HDAC2 Q92769 9/20 0.61
MAPK1 P28482 2/20 0.60
HDAC10 Q969S8 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
NCOR2 Q9Y618 3/20 0.56
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.50

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
SCHEMBL29904721 1.00 ALDH1A1 (0.61) ALDH1A1HPGDHDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL11503558 0.98 HDAC1 (0.59) ALDH1A1HPGDHDAC1HDAC3HDAC2
Aniline SCHEMBL22169226 0.92 HDAC1 (0.58) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL12075892 0.88 HDAC1 (0.63) ALDH1A1HPGDHDAC1HDAC3HDAC2
Trifluoroacetic Acid SCHEMBL3600531 0.88 HDAC1 (0.54) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL19448679 0.84 ALDH1A1 (0.54) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL6689158 0.84 ALDH1A1 (0.74) ALDH1A1HPGDMAPK1POLBCYP2C19
SCHEMBL674397 0.83 HDAC1 (0.59) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL5516360 0.83 ALDH1A1 (0.52) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL3071688 0.82 HDAC3 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716344-B 2- ((2-acetamidophenyl) amino) acetamido compound and preparation method and application thereof 湖南科技大学 2023-12-22 CN claimed
CN-114308124-B High-efficiency catalyst for nitrogen fixation and preparation method and application thereof 杭州师范大学 2023-12-19 CN claimed
CN-114409657-B 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2023-02-24 CN claimed
CN-111217712-B Method for preparing o-phenylenediamine from aniline 江苏扬农化工集团有限公司 2023-01-10 CN claimed
CN-114716344-A 2- ((2-acetamidophenyl) amino) acetyl arylamine compound and preparation method and application thereof 湖南科技大学 2022-07-08 CN claimed
CN-114409657-A 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2022-04-29 CN claimed
CN-114308124-A Efficient catalyst for nitrogen fixation and preparation method and application thereof 杭州师范大学 2022-04-12 CN claimed
CN-107698484-A A kind of preparation method of derivative of lenalidomide and application 广东中科药物研究有限公司 2018-02-16 CN claimed
CN-107286043-A The preparation method of 2- methoxyl group -5- acetylaminoanilines 上海安诺其集团股份有限公司 2017-10-24 CN claimed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US claimed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
EP-1541549-A1 Tricyclic hydroxamate and benzaminde derivatives, compositions and methods Exonhit Therapeutics S.A. (FR) 2005-06-15 EP claimed
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-11-11 US claimed
WO-2004092142-A1 AN IMPROVED PROCESS FOR MANUFACTURE OF SUBSTITUTED BENZIMIDAZOLES IPCA LABORATORIES LIMITED (IN) 2004-10-28 WO claimed
WO-2004075864-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-10 WO claimed
US-4711956-A GRAMPOSITIVE, GRAMNEGATIVE BACTERIA TPO "PHARMACHIM" (BG) 1987-12-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG ALDH1A1 1381/4885HPGD 146/4885HDAC1 357/4885
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 ALDH1A1 1128/4885HPGD 334/4885HDAC1 2/4885
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2788/4885HPGD 1351/4885HDAC1 522/4885

“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.