SCHEMBL95028

SCHEMBL95028

[2H]C([2H])(Nc1ccccc1N)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.46
HDAC3 O15379 4/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 2/20 0.37
PTGES2 Q9H7Z7 2/20 0.37
HDAC2 Q92769 3/20 0.37
NCOR2 Q9Y618 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36

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 0.82 MAPT (0.55) HDAC1HDAC3MAPTL3MBTL1APP
SCHEMBL132544 0.76 MAPT (0.42) HDAC1HDAC3MAPTL3MBTL1APP
SCHEMBL95687 0.73 MAPT (0.74) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL7164883 0.71 BACE1 (0.56) HDAC1HDAC3MAPTL3MBTL1HDAC2
SCHEMBL10353242 0.70 ACLY (0.48) HDAC1HDAC3MAPTL3MBTL1APP
SCHEMBL13458990 0.70 HDAC1 (0.53) HDAC1HDAC3L3MBTL1HDAC2NCOR2
SCHEMBL9484448 0.69 HDAC1 (0.43) HDAC1HDAC3PTGES2HDAC2HDAC4
SCHEMBL7669651 0.69 DRD4 (0.54) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL9484444 0.69 HDAC1 (0.43) HDAC1HDAC3PTGES2HDAC2HDAC4
SCHEMBL13695001 0.69 MAPT (0.46) HDAC1HDAC3MAPTL3MBTL1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 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 (2 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 HDAC1 195/4885HDAC3 337/4885MAPT 4232/4885
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN HRH4, H1-4, HRH3 HDAC1 29/4885HDAC3 51/4885MAPT 3023/4885

“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.