SCHEMBL13304531

SCHEMBL13304531

N#Cc1ccc(N2C(=O)C(c3ccccc3)N(CC3CCN(c4ncc(C(=O)NOC5CCCCO5)cn4)CC3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.36
PRKAA2 P54646 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MEN1 O00255 2/20 0.33
CHRM2 P08172 2/20 0.32
CXCR3 P49682 1/20 0.32

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 0.89 CHRM4 (0.41) CHRM4HDAC6CHRM5CHRM1CHRM3
SCHEMBL13304563 0.85 HDAC6 (0.48) PRKAA2HDAC6KDM1A
SCHEMBL13304530 0.84 ITGAL (0.41) CHRM4PRKAA2HDAC6KDM1ACHRM5
SCHEMBL13304536 0.83 HDAC6 (0.39) CHRM4HDAC6KDM1A
SCHEMBL13304529 0.81 ELANE (0.41) PRKAA2MEN1
SCHEMBL13327802 0.78 HDAC6 (0.48) HDAC6KDM1A
SCHEMBL13304603 0.76 HDAC6 (0.53) HDAC6KDM1A
SCHEMBL13304599 0.76 HDAC6 (0.49) HDAC6KDM1A
SCHEMBL13304507 0.74 HDAC6 (0.40) CHRM4HDAC6KDM1A
SCHEMBL13304568 0.73 HDAC6 (0.47) CHRM4HDAC6KDM1A

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 CHRM4 3895/4885PRKAA2 2531/4885HDAC6 11/4885

“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.