SCHEMBL7337546

SCHEMBL7337546

O=c1cn[n+]([O-])c2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.45
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
BCHE P06276 10/20 0.32
ACHE P22303 10/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL5894390 0.70 ATM (0.43) ATMBCHEACHE
SCHEMBL28205936 0.65 ATM (0.48) ATMMEN1KMT2ANPC1BCHE
SCHEMBL253244 0.64 ATM (0.41) ATMNPC1BCHEACHERAB9A
SCHEMBL3084819 0.64 ATM (1.00) ATMMEN1KMT2ANPC1BCHE
SCHEMBL9447797 0.63 CYP1A2 (0.41) NPC1
SCHEMBL21694450 0.62 ATM (0.48) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL7501877 0.60 ATM (0.69) ATMMEN1KMT2ANPC1ACHE
SCHEMBL51581 0.60 ATM (0.41) ATMNPC1RAB9A
SCHEMBL379226 0.59 ATM (0.36) ATMMEN1KMT2A
SCHEMBL7869230 0.59 ATM (0.40) ATMNPC1BCHEACHERAB9A

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
US-6432944-B1 ARYLACETAMIDOALANYL DERIVATIVES OF BENZODIAZEPINONES ARE USEFUL FOR INHIBITION OF EXTRACELLULAR DEPOSITION OF BETA-AMYLOID PEPTIDE, THUS TREATS AMYLOIDOSIS, ALZHEIMER'S DISEASE AND DOWN'S SYNDROME BRISTOL-MYERS SQUIBB COMPANY 2002-08-13 US disclosed
US-20020022621-A1 Benzodiazepinone beta -amyloid inhibitors: arylacetamidoalanyl derivatives BRISTOL-MYERS SQUIBB COMPANY 2002-02-21 US disclosed
US-5817751-A IMMOBILIZATION AN AMINOACID ON SUPPORT; CYCLIZATION AFFYMAX TECHNOLOGIES N.V. (GB) 1998-10-06 US disclosed
WO-1996000391-A1 METHODS FOR THE SYNTHESIS OF DIKETOPIPERAZINES AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 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-20020022621-A1 Benzodiazepinone beta -amyloid inhibitors: arylacetamidoalanyl derivatives APP, BACE1, PSEN1 ATM 3298/4885MEN1 4031/4885KMT2A 2893/4885

“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.