SCHEMBL132544

SCHEMBL132544

[2H]c1c(Cl)ccc(CNc2ccccc2N)c1[2H]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 10/20 0.40
BACE1 P56817 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
APP P05067 2/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOR1 O75376 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL95038 0.85 MAPT (0.55) MAPTL3MBTL1KDM4EGAAHDAC1
SCHEMBL7164883 0.79 BACE1 (0.56) MAPTL3MBTL1KDM4EGAAHDAC1
SCHEMBL10353242 0.77 ACLY (0.48) MAPTL3MBTL1KDM4EGAAHDAC1
SCHEMBL132598 0.76 MAPT (0.77) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL95028 0.76 HDAC1 (0.46) MAPTL3MBTL1KDM4EGAAHDAC1
SCHEMBL28119290 0.74 APP (0.52) MAPTHDAC1BACE1APPMEN1
SCHEMBL10507600 0.74 SSTR3 (0.51) MAPTL3MBTL1KDM4EGAAALDH1A1
SCHEMBL396451 0.74 BACE1 (0.65) MAPTKDM4EGAAHDAC1BACE1
SCHEMBL29922357 0.74 BACE1 (0.65) MAPTKDM4EGAAHDAC1BACE1
SCHEMBL12263035 0.72 MAPT (0.64) MAPTL3MBTL1KDM4EGAAAPP

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 2089/4885KDM4E 537/4885

“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.