SCHEMBL4390797

SCHEMBL4390797

O=C(O)C(Br)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CES2 O00748 3/20 0.51
CES1 P23141 3/20 0.51
CNR2 P34972 1/20 0.47
EPHX1 P07099 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MTOR P42345 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC1A1 P43005 2/20 0.42

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
SCHEMBL29530737 1.00 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL9298252 1.00 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL29531136 0.85 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL9298388 0.85 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7463303 0.85 EPHX1 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL9298392 0.85 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3711116 0.82 SRC (0.58) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7680005 0.81 CES2 (0.45) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL75778 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL29449418 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730918-A Aporphine derivative, and preparation method and application thereof 苏州大学 2023-09-12 CN disclosed
US-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
CN-116003434-A Macrocyclic compound and medical application thereof 中国药科大学 2023-04-25 CN disclosed
CN-110325528-B 2-benzopyrazinyl-N-heteroaryl-2-phenyl-acetamide compounds 豪夫迈·罗氏有限公司 2022-10-11 CN disclosed
CN-115108986-A Aporphine derivative and preparation method and application thereof 苏州大学 2022-09-27 CN disclosed
CN-112920105-B Phthalimide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-22 CN disclosed
EP-3558967-B1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-03-02 EP disclosed
CN-112920105-A Phthalimide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2021-06-08 CN disclosed
CN-112624972-A Acridone compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-04-09 CN disclosed
US-20210070739-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-03-11 US disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US 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 (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-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 HDAC4 3052/4885HDAC7 1438/4885HDAC5 882/4885
US-20210070739-A1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS EGFR, ERBB2, ERBB3 HDAC4 3052/4885HDAC7 1438/4885HDAC5 882/4885
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 HDAC4 989/4885HDAC7 1554/4885HDAC5 998/4885

“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.