SCHEMBL14215734

SCHEMBL14215734

CC(=O)Nc1nc(CCc2ccc(CON)cc2)c(-c2ccc(S)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.55
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PIK3CD O00329 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4867237 0.87 AOC3 (0.73) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL14045018 0.83 AOC3 (0.55) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL4874138 0.77 AOC3 (0.57) AOC3ALDH1A1MAPTGAAPIK3CG
SCHEMBL27646792 0.76 AOC3 (0.56) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL27626538 0.75 AOC3 (0.56) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL4877874 0.75 AOC3 (0.77) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874385 0.75 AOC3 (0.77) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4867104 0.74 AOC3 (0.75) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL27626576 0.73 AOC3 (0.54) AOC3ALDH1A1MAPTKDM4ELMNA
SCHEMBL14019534 0.73 AOC3 (0.55) AOC3ALDH1A1MAPTMEN1KMT2A

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885ALDH1A1 927/4885MAPT 430/4885

“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.