SCHEMBL4291906

SCHEMBL4291906

CC(=O)Nc1nc(CCc2ccc(CCNC=NN)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.67
MAOB P27338 3/20 0.64
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Carbamic Acid SCHEMBL4990385 0.88 AOC3 (0.64) AOC3MAOB
SCHEMBL4284480 0.87 AOC3 (0.67) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6197358 0.83 AOC3 (0.69) AOC3MAOB
SCHEMBL3939958 0.82 AOC3 (0.74) AOC3MAOBKMT2ASMN1; SMN2
Carbamic Acid SCHEMBL3935711 0.82 AOC3 (0.67) AOC3MAOB
SCHEMBL4890202 0.81 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939953 0.81 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3934166 0.81 AOC3 (0.85) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972163 0.81 AOC3 (1.00) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972734 0.81 AOC3 (0.85) AOC3MAOBKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-07-02 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-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR VCAM1, VAPB, FLT1 AOC3 402/4885MAOB 1593/4885KMT2A 3327/4885

“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.