SCHEMBL5738505

SCHEMBL5738505

COC(=O)/C=C1\SC(Nc2ccccc2C)=NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35

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
SCHEMBL5738509 1.00 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EALOX12RAB9A
SCHEMBL5737482 0.86 RAB9A (0.40) ALDH1A1HPGDKDM4EALOX12RAB9A
SCHEMBL5737484 0.86 RAB9A (0.40) ALDH1A1HPGDKDM4EALOX12RAB9A
SCHEMBL5734285 0.77 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EALOX12RAB9A
SCHEMBL5736711 0.77 KDM4E (0.45) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL5737136 0.77 KDM4E (0.43) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL5737133 0.77 KDM4E (0.43) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL5734055 0.72 KDM4E (0.40) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL21074348 0.69 PRKCB (0.44) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL4003963 0.66 MAPT (0.50) ALDH1A1HPGDRAB9AMAPTHTT

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 ALDH1A1 812/4885HPGD 2320/4885KDM4E 3759/4885

“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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