SCHEMBL187219

SCHEMBL187219

O=C(Cl)c1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 2/20 0.52
TMEM97 Q5BJF2 6/20 0.47
MAOB P27338 1/20 0.41
AKR1C3 P42330 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL186313 0.84 CA12 (0.56) CA1CA2CA4CA12CA9
SCHEMBL186786 0.84 CA12 (0.56) CA1CA2CA4CA12CA9
SCHEMBL3864925 0.82 CA12 (0.41) CA1CA2CA4CA12CA9
SCHEMBL3642316 0.82 CA12 (0.58) CA1CA2CA4CA12CA9
SCHEMBL12861014 0.82 MAOB (0.59) CA1CA2CA4CA12CA9
SCHEMBL13685904 0.82 CA12 (0.48) CA1CA2CA4CA12CA9
SCHEMBL13685883 0.80 TMEM97 (0.53) CA1CA2CA4CA12CA9
SCHEMBL4128246 0.79 CA2 (0.50) CA1CA2CA4CA12CA9
SCHEMBL10036561 0.79 PARP10 (0.46) ALDH1A1MAOBMEN1KMT2A
SCHEMBL17369722 0.78 CA12 (0.51) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395544-B1 METHODS OF MAKING 21- 4'-(NITROOXYALKYL) BENZOATE CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF NICOX SA (FR) 2012-01-04 EP disclosed
US-6696592-B2 FORMING REDUCED SIDE EFFECTS DERIVATIVE NICOX-S.A. (FR) 2004-02-24 US disclosed
US-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof NICOX S.A. (FR) 2003-08-14 US disclosed
WO-2002094942-A1 METHOD OF PURIFYING POLYCYCLIC DYES OPTIVA, INC. (US) 2002-11-28 WO 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-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof CYP11B1, CYP17A1, CYP21A2 CA1 1823/4885CA2 2168/4885CA4 371/4885

“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.