SCHEMBL13520135

SCHEMBL13520135

CCN(CC(=O)N1CCSc2cc([N+](=O)[O-])ccc21)C(=O)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 13/20 0.38
MAPT P10636 7/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10265159 0.90 ALDH1A1 (0.36) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL500409 0.85 GAA (0.41) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL500410 0.85 GAA (0.41) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL13520134 0.84 GAA (0.42) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL10264682 0.82 GAA (0.42) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL499711 0.80 ALDH1A1 (0.38) GAAALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL499399 0.77 CYP1A2 (0.39) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL499398 0.77 CYP1A2 (0.39) GAAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL10265046 0.77 ALDH1A1 (0.36) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL500117 0.76 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9

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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GAA 1038/4885ALDH1A1 861/4885MAPT 1622/4885

“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.