SCHEMBL13304536

SCHEMBL13304536

CC1C(=O)N(c2ccc(-c3ccccc3)cc2)C(=O)N1CC1CCN(c2ncc(C(=O)NOC3CCCCO3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.39
CHRM4 P08173 10/20 0.36
HDAC1 Q13547 4/20 0.36
DGAT1 O75907 1/20 0.36
KDM1A O60341 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
TGFBR1 P36897 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL13304552 0.90 CHRM4 (0.41) HDAC6CHRM4HDAC1HDAC3HDAC4
SCHEMBL13304564 0.84 HDAC6 (0.54) HDAC6HDAC1KDM1AHDAC3HDAC4
SCHEMBL13304531 0.83 CHRM4 (0.36) HDAC6CHRM4KDM1A
SCHEMBL13304507 0.82 HDAC6 (0.40) HDAC6CHRM4HDAC1DGAT1KDM1A
SCHEMBL13304600 0.78 HDAC6 (0.49) HDAC6HDAC1KDM1AHDAC3HDAC4
SCHEMBL5525133 0.77 ROCK2 (0.43) HDAC6CHRM4HDAC1DGAT1KDM1A
SCHEMBL12341277 0.77 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL15341335 0.76 KDM1A (0.39) HDAC6CHRM4HDAC1KDM1AHDAC3
SCHEMBL1617319 0.76 HDAC3 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL9883406 0.75 GSTP1 (0.38) HDAC6HDAC1KDM1AHDAC3HDAC4

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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 HDAC6 11/4885CHRM4 3895/4885HDAC1 1/4885

“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.