SCHEMBL132598

SCHEMBL132598

[2H]c1c(Cl)ccc(CNc2ccccc2[N+](=O)[O-])c1[2H]

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
MAPK1 P28482 1/20 0.57
IDO1 P14902 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PHGDH O43175 1/20 0.46
KAT2B Q92831 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR6 P50406 2/20 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 0.87 MAPT (1.00) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL7164868 0.82 MAPT (0.84) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL10353552 0.80 MAPT (0.76) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL95687 0.79 MAPT (0.74) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL10353546 0.78 MAPT (0.72) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL10353602 0.78 MAPT (0.72) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL102602 0.78 MAPT (0.77) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL13783550 0.76 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL10360050 0.76 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL9138464 0.76 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA

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 2089/4885MAPK1 2041/4885

“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.