SCHEMBL6800409

SCHEMBL6800409

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1/C=C/c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.74
CTSB P07858 4/20 0.65
CTSS P25774 4/20 0.56
CTSL P07711 2/20 0.55
CTSK P43235 2/20 0.55

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
SCHEMBL6800424 1.00 CAPN1 (0.74) CAPN1CTSBCTSSCTSLCTSK
Dimethylamine SCHEMBL1335192 0.89 CAPN1 (0.75) CAPN1CTSBCTSSCTSLCTSK
Dimethylamine SCHEMBL1333635 0.88 CAPN1 (0.74) CAPN1CTSBCTSSCTSLCTSK
SCHEMBL1335195 0.87 CAPN1 (0.86) CAPN1CTSBCTSSCTSLCTSK
SCHEMBL1335191 0.87 CAPN1 (0.86) CAPN1CTSBCTSSCTSLCTSK
Hydrochloric Acid SCHEMBL1333637 0.86 CAPN1 (0.85) CAPN1CTSBCTSSCTSLCTSK
Diethylamine SCHEMBL1930928 0.86 CAPN1 (0.74) CAPN1CTSBCTSSCTSLCTSK
Hydrochloric Acid SCHEMBL1333633 0.86 CAPN1 (0.85) CAPN1CTSBCTSSCTSLCTSK
SCHEMBL1930926 0.85 CAPN1 (1.00) CAPN1CTSBCTSSCTSLCTSK
Diethylamine SCHEMBL1333096 0.85 CAPN1 (0.73) CAPN1CTSBCTSSCTSLCTSK

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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 CAPN1 1/4885CTSB 105/4885CTSS 49/4885

“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.