SCHEMBL95687

SCHEMBL95687

[2H]C([2H])(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
L3MBTL1 Q9Y468 4/20 0.74
IDO1 P14902 1/20 0.60
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 2/20 0.54
PHGDH O43175 1/20 0.52
KAT2B Q92831 2/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CASP7 P55210 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL95561 0.85 MAPT (1.00) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL132598 0.79 MAPT (0.77) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL7164868 0.76 MAPT (0.84) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL10353552 0.75 MAPT (0.76) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL29516821 0.73 KAT2B (0.64) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL6198859 0.73 KAT2B (0.80) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL9781715 0.73 KAT2B (0.64) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL95028 0.73 HDAC1 (0.46) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL247794 0.73 L3MBTL1 (0.74) MAPTL3MBTL1IDO1LMNAALDH1A1
SCHEMBL22519934 0.73 MAPT (0.59) MAPTL3MBTL1IDO1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT MAPT 4232/4885L3MBTL1 2089/4885IDO1 321/4885

“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.