SCHEMBL6239402

SCHEMBL6239402

COc1c(C(=O)NN)oc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 3/20 0.49
MCL1 Q07820 1/20 0.49
KCNH2 Q12809 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.46
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6240133 0.85 GAA (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6240428 0.83 MCL1 (0.66) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL6237623 0.82 MCL1 (0.68) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL6243266 0.81 GAA (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6241006 0.78 MAPT (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5736871 0.77 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL6242047 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4573629 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL25337803 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL31231838 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1

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 KDM4E 3961/4885ALDH1A1 642/4885HPGD 2276/4885

“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.