SCHEMBL6096231

SCHEMBL6096231

CC1N=Nc2ccccc2C(N)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
AADAT Q8N5Z0 1/20 0.35
ANPEP P15144 2/20 0.33
HTR5A P47898 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10293743 0.77 NOS3 (0.42) NOS3NOS1NOS2HTR5A
Carbamic Acid SCHEMBL6382077 0.74 NOS3 (0.42) NOS3NOS1NOS2HTR5AMEN1
SCHEMBL6306575 0.69 ANPEP (0.36) NOS3NOS1NOS2ANPEPMEN1
SCHEMBL11411069 0.63 POLB (0.40) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL8309094 0.61 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL10293439 0.61 PRCP (0.32) NOS3NOS1NOS2
Water SCHEMBL6608061 0.59 MAOA (0.32)
SCHEMBL21818905 0.58 MEN1 (0.40) ANPEPMEN1KMT2A
SCHEMBL5542657 0.58 NOS3 (0.40) NOS3NOS1NOS2AADATMEN1
SCHEMBL17178589 0.58 KDM1A (0.34) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US 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-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP NOS3 1237/4885NOS1 1508/4885NOS2 1634/4885

“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.