SCHEMBL5735240

SCHEMBL5735240

CNC(=O)/C=C1\SC(Nc2c(Cl)cccc2Cl)=NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CXCL8 P10145 3/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ AKR1B10 O60218 1/20 0.32
▸ UGT1A9 O60656 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ MT-CO2 P00403 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ UGT1A6 P19224 1/20 0.32
▸ UGT1A1 P22309 1/20 0.32

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
SCHEMBL5735244 1.00 CISD1 (0.35) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735635 0.86 CISD1 (0.35) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735208 0.86 CISD1 (0.35) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735743 0.86 CXCL8 (0.36) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735740 0.86 CXCL8 (0.36) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735213 0.86 CISD1 (0.35) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5735641 0.86 CISD1 (0.35) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5737173 0.85 CXCL8 (0.37) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5737245 0.85 CXCL8 (0.37) CISD1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5734287 0.85 ALDH1A1 (0.39) CISD1HDAC3HDAC1HDAC2HDAC6

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
EP-1314426-B1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER LAMBERT CO (US) 2006-02-15 — — EP claimed
US-6632831-B2 Such as: (2-(2,6-Dichloro-phenylamino)-4-oxo-4H-thiazol-5-ylidene)-acet ic acid methyl ester PFIZER INC. 2003-10-14 — — US claimed
EP-1314426-A9 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-09-17 — — EP claimed
US-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY 2003-08-28 — — US claimed
WO-2003045384-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO claimed
EP-1314426-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 — — EP claimed
EP-1314426-B1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER LAMBERT CO (US) 2006-02-15 — — EP disclosed
US-6632831-B2 Such as: (2-(2,6-Dichloro-phenylamino)-4-oxo-4H-thiazol-5-ylidene)-acet ic acid methyl ester PFIZER INC. 2003-10-14 — — US disclosed
EP-1314426-A9 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-09-17 — — EP disclosed
US-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY 2003-08-28 — — US disclosed
WO-2003045384-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO disclosed
EP-1314426-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 — — 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 (1 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-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BCAT1, BCAT2, ABAT CISD1 2983/4885HDAC3 2232/4885HDAC1 2644/4885

“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.

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