SCHEMBL6243266

SCHEMBL6243266

COc1c(C(=O)NN)oc2ccc(-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KDM4E B2RXH2 8/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
NR4A2 P43354 2/20 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
SCHEMBL6242074 0.89 KDM4E (0.46) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6239909 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6240133 0.82 GAA (0.64) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6241006 0.81 MAPT (0.44) GAAKDM4EHDAC2ALDH1A1HPGD
SCHEMBL6239402 0.81 KDM4E (0.61) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9248201 0.78 KMT2A (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27280515 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27280517 0.77 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6241692 0.75 KDM4E (0.53) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6241593 0.75 ALDH1A1 (0.43) GAAKDM4EHDAC2ALDH1A1HTT

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 45/4885KDM4E 3961/4885HDAC2 2545/4885

“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.