SCHEMBL95523

SCHEMBL95523

CC(C)(C(=O)Nc1ccccc1N)N1C(C)(C)C(C)(C)C(C)(C)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.44
HDAC2 Q92769 11/20 0.44
HDAC3 O15379 10/20 0.44
MAPK1 P28482 1/20 0.44
HDAC10 Q969S8 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
PTGS1 P23219 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL95406 0.78 PDK1 (0.59) NPC1RAB9APDK1PDK2PDK3
SCHEMBL2733296 0.77 CETP (0.61) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL15711989 0.77 HDAC1 (0.55) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL12427249 0.74 PTGS1 (0.55) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL94957 0.74 GLA (0.37) NPC1RAB9APDK1PDK2PDK3
SCHEMBL12963094 0.72 LMNA (0.57) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL8909870 0.71 PTGS1 (0.55) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL3846828 0.71 PTGS1 (0.58) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL8910665 0.68 PTGS1 (0.55) HDAC1HDAC2HDAC3MAPK1HDAC10
SCHEMBL463597 0.68 ALDH1A1 (0.61) HDAC1HDAC2HDAC3MAPK1HDAC10

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 HDAC1 195/4885HDAC2 284/4885HDAC3 337/4885

“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.