SCHEMBL6239637

SCHEMBL6239637

NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
MAPT P10636 6/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
F12 P00748 1/20 0.53
CYP24A1 Q07973 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP2 P08253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2102040 0.88 NPC1 (0.56) POLBMAOBMAOANPC1RAB9A
SCHEMBL4001852 0.84 POLB (0.69) POLBMAOBMAOANPC1RAB9A
SCHEMBL654558 0.84 MAOA (0.67) POLBMAOBMAOANPC1RAB9A
SCHEMBL30100149 0.84 MAOA (0.67) POLBMAOBMAOANPC1RAB9A
SCHEMBL5867051 0.84 F12 (0.72) MAOBMAOANPC1RAB9AMEN1
SCHEMBL14423946 0.84 CA12 (0.57) POLBMAOBMAOANPC1RAB9A
SCHEMBL3488219 0.83 CA12 (0.68) POLBMAOBMAOANPC1RAB9A
Hydrochloric Acid SCHEMBL7803214 0.83 POLB (0.68) POLBMAOBMAOANPC1RAB9A
SCHEMBL31290976 0.83 CA12 (0.68) POLBMAOBMAOANPC1RAB9A
SCHEMBL3609153 0.83 POLB (0.59) POLBMAOBMAOANPC1RAB9A

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 POLB 555/4885MAOB 863/4885MAOA 810/4885

“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.