SCHEMBL5943985

SCHEMBL5943985

CN(Cc1cccc(-c2ccc(C(=O)NO)cc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEP1B Q16820 1/20 0.45
AOC3 Q16853 2/20 0.44
POLB P06746 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
SCHEMBL5943980 0.80 AURKA (0.56) CHRM3HDAC1HDAC2HDAC6HDAC3
SCHEMBL5943881 0.77 HDAC6 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL18910399 0.75 HDAC1 (0.48) CHRM3HDAC1HDAC2HDAC6HDAC3
SCHEMBL26617467 0.73 HPGD (0.57) HPGDNPSR1ALDH1A1MAPT
SCHEMBL16211436 0.73 HDAC1 (0.49) CHRM3HDAC1HDAC2HDAC6HDAC3
SCHEMBL5943879 0.73 MAPT (0.70) CHRM3HPGDNPSR1ALDH1A1MAPT
SCHEMBL11432918 0.72 PTGES (0.58) PTGESALOX5HPGDMEP1BPOLB
SCHEMBL16211429 0.71 HDAC1 (0.49) CHRM3HDAC1HDAC2HDAC6HDAC3
SCHEMBL16211588 0.71 HDAC1 (0.49) CHRM3HDAC1HDAC2HDAC6HDAC3
SCHEMBL5944108 0.71 HDAC1 (0.77) CHRM3HDAC1HDAC2HDAC6HDAC3

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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CHRM3 4603/4885HDAC1 1/4885HDAC2 2/4885

“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.