SCHEMBL6239922

SCHEMBL6239922

Cc1cccc2cc(C(=O)NN)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
TP53 P04637 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL2681830 0.82 ALDH1A1 (0.65) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL9550369 0.82 FLT3 (0.52) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL6241107 0.81 CHRNA7 (0.51) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL5584871 0.81 KMT2A (0.72) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL2432723 0.80 MAOB (0.53) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL10648590 0.80 LMNA (0.64) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL3076627 0.79 LMNA (0.51) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL4508415 0.79 MAOB (0.47) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL6240470 0.79 KMT2A (0.56) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL17843524 0.78 MAPT (0.48) RAB9ANPC1TP53ALDH1A1MAPT

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 RAB9A 2547/4885NPC1 922/4885TP53 2389/4885

“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.