SCHEMBL7212802

SCHEMBL7212802

Cc1cc(C#N)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
ALOX15 P16050 2/20 0.51
APEX1 P27695 2/20 0.51
BLM P54132 2/20 0.51
CYP3A4 P08684 2/20 0.51
PDE2A O00408 1/20 0.51
PDE5A O76074 1/20 0.51
NFKB1 P19838 1/20 0.51
PDE4A P27815 1/20 0.51
PDE1B Q01064 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE7A Q13946 1/20 0.51
PDE1C Q14123 1/20 0.51
PDE7B Q9NP56 1/20 0.51
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42

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
SCHEMBL7212793 0.82 ALDH1A1 (0.59) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL7212546 0.81 ALDH1A1 (0.55) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL5291433 0.78 MAPT (0.54) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL7212568 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL29451866 0.78 VCAM1 (0.59) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL29451638 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL7212867 0.78 ALDH1A1 (0.55) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL29451612 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL29451504 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15APEX1BLMCYP3A4
SCHEMBL29452058 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15APEX1BLMCYP3A4

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-6617357-B2 Administering to a patient for inhibiting cyclic nucleotide phosphodiesterases (PDEs) activity, a benzenesulfonamide compound SMITHKLINE BEECHAM CORPORATION 2003-09-09 US disclosed
US-20020156064-A1 Compounds and their use as PDE inhibitors SMITHKLINE BEECHAM CORP 2002-10-24 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-20020156064-A1 Compounds and their use as PDE inhibitors PDE3A, PDE2A, PDE5A ALDH1A1 632/4885ALOX15 4434/4885APEX1 1225/4885

“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.