SCHEMBL1818402

SCHEMBL1818402

CCOC(=O)N(SCc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 7/20 0.45
PKM P14618 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
PDE1C Q14123 1/20 0.42
AR P10275 1/20 0.42
GLO1 Q04760 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CACNA1F O60840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CACNA1D Q01668 1/20 0.41

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
SCHEMBL1820639 0.89 ALDH1A1 (0.47) SMN1; SMN2MAPTMAPK1ALDH1A1PKM
SCHEMBL1820244 0.86 ALDH1A1 (0.44) SMN1; SMN2MAPK1ALDH1A1PKMHTT
SCHEMBL11086328 0.77 GLO1 (0.49) SMN1; SMN2MAPTMAPK1ALDH1A1PKM
SCHEMBL11455515 0.77 GLO1 (0.49) MAPTMAPK1ALDH1A1PKMHTT
SCHEMBL1816819 0.73 HTR2C (0.39) SMN1; SMN2MAPTMAPK1ALDH1A1HTT
SCHEMBL27951862 0.73 ALDH1A1 (0.51) SMN1; SMN2MAPTMAPK1ALDH1A1PKM
SCHEMBL1817171 0.72 KMT2A (0.46) SMN1; SMN2MAPTMAPK1ALDH1A1PKM
SCHEMBL28158074 0.71 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1PKMHTT
SCHEMBL8103391 0.70 ALDH1A1 (0.53) SMN1; SMN2MAPTMAPK1ALDH1A1PKM
SCHEMBL10589038 0.70 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD SMN1; SMN2 4069/4885MAPT 3367/4885MAPK1 2478/4885

“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.