SCHEMBL642680

SCHEMBL642680

CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLO1 Q04760 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL641529 0.84 PKM (0.51) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL27749814 0.81 MEN1 (0.47) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL5461521 0.77 PKM (0.61) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL8103391 0.72 ALDH1A1 (0.53) MEN1KMT2APKMALDH1A1HTT
SCHEMBL2672665 0.72 MEN1 (0.64) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL5624112 0.70 ALDH1A1 (0.51) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL17443310 0.70 GAA (0.60) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1817171 0.70 KMT2A (0.46) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL11455515 0.70 GLO1 (0.49) MEN1KMT2ALMNAPKMALDH1A1
SCHEMBL11086328 0.70 GLO1 (0.49) MEN1KMT2ALMNAPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 MEN1 2730/4885KMT2A 1761/4885LMNA 1589/4885

“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.