SCHEMBL6256304

SCHEMBL6256304

COc1oc2ccccc2c1C(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CTSD P07339 1/20 0.44
HTT P42858 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL1918728 0.82 KMT2A (0.49) L3MBTL1ATMKDM4ECYP2C9CYP2C19
SCHEMBL3537107 0.81 CYP2C9 (0.50) L3MBTL1ATMKDM4ECYP2C9CYP2C19
SCHEMBL8005054 0.71 GAA (0.57) GAAKDM4EALDH1A1MAPTCA12
SCHEMBL5145314 0.71 ALDH1A1 (0.46) GAAKDM4EALDH1A1MAPTCA12
SCHEMBL18018242 0.70 KDM4E (0.62) L3MBTL1ATMKDM4ECYP2C19ALDH1A1
SCHEMBL6240044 0.70 NPC1 (0.63) GAAL3MBTL1ATMKDM4EALDH1A1
SCHEMBL5143673 0.70 KDM4E (0.53) GAAKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL5585274 0.69 HTT (0.54) GAAL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5471429 0.68 KDM4E (0.46) GAAL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL23461860 0.68 KDM4E (0.69) L3MBTL1ATMKDM4ECYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT GAA 45/4885L3MBTL1 366/4885ATM 1093/4885

“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.