SCHEMBL6239408

SCHEMBL6239408

NNC(=O)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
BCAT1 P54687 2/20 0.59
ADAMTS4 O75173 2/20 0.56
ADAMTS5 Q9UNA0 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 4/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL29827697 0.86 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4916668 0.82 TP53 (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL705754 0.82 PIM1 (0.64) BCAT1NPC1RAB9AKDM4EHRH4
SCHEMBL29994222 0.82 KDM4E (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2706216 0.82 KDM4E (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29526778 0.82 PIM1 (0.64) BCAT1NPC1RAB9AKDM4EHRH4
SCHEMBL3613922 0.82 MAOB (0.63) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5867026 0.82 NPC1 (0.71) BCAT1NPC1RAB9AKDM4EATM
SCHEMBL24173779 0.81 TSHR (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4925354 0.81 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC4HDAC7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178359-B Heterocyclic substitution-based disulfide derivative, preparation method and application thereof 贵州大学 2024-09-13 CN disclosed
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2023-09-21 US disclosed
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2023-09-21 US disclosed
EP-4186503-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES Korea Research Institute of Bioscience and Biotechnology (KR) 2023-05-31 EP disclosed
CN-116178359-A Heterocyclic substitution-based disulfide derivative, preparation method and application thereof 贵州大学 2023-05-30 CN disclosed
EP-4015516-A1 BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2022-06-22 EP disclosed
WO-2021251756-A1 N-ACYLHYDRAZONE-DERIVATIVE-MARKER CONJUGATE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 한국생명공학연구원 2021-12-16 WO disclosed
WO-2021010731-A1 BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 한국생명공학연구원 2021-01-21 WO disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT HDAC3 2570/4885HDAC1 2750/4885HDAC2 2545/4885
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES RELA, NFKBIA, IKBKG HDAC3 55/4885HDAC1 84/4885HDAC2 91/4885

“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.