SCHEMBL15462012

SCHEMBL15462012

O=C(NO)c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
HTT P42858 4/20 0.60
GAA P10253 3/20 0.60
NPC1 O15118 1/20 0.60
NOD1 Q9Y239 1/20 0.60
MAPT P10636 9/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 3/20 0.56
GALR3 O60755 1/20 0.54
POLB P06746 1/20 0.53
MAPK1 P28482 2/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL15462019 0.92 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462018 0.89 MAPT (0.57) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462029 0.88 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462015 0.88 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462025 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462011 0.85 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462022 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL1617564 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462017 0.83 MAPT (0.51) ALDH1A1SMN1; SMN2HTTGAANPC1
SCHEMBL15462014 0.83 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HTTGAANPC1

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-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 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-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885SMN1; SMN2 3960/4885HTT 398/4885

“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.