SCHEMBL4301799

SCHEMBL4301799

O=C(O)C(CC[N+](=O)[O-])(Nc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 9/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALOX5 P09917 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4355210 0.82 GAA (0.42) CYP2C19CYP1A2ALDH1A1MAPTALOX5
SCHEMBL1875535 0.73 KMT2A (0.35) CYP2C19CYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5025929 0.70 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2ALOX5MEN1
SCHEMBL3120886 0.67 L3MBTL1 (0.45) ALDH1A1MAPTSMN1; SMN2ALOX5MEN1
SCHEMBL4296608 0.67 CYP2C19 (0.41) CYP2C19CYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL8509315 0.66 HDAC4 (0.57) CYP2C19CYP3A4CYP1A2MAPTCYP2D6
SCHEMBL9198007 0.64 ALDH1A1 (0.52) CYP2C19CYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL8812813 0.64 L3MBTL1 (0.39) CYP2C19CYP3A4CYP1A2ALDH1A1MAPT
SCHEMBL8749884 0.64 GAA (0.36) ALDH1A1MAPTSMN1; SMN2ALOX5MEN1
SCHEMBL601390 0.62 MAPT (0.41) CYP2C19CYP3A4CYP1A2ALDH1A1MAPT

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-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 CYP2C19 786/4885CYP3A4 283/4885CYP1A2 738/4885

“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.