SCHEMBL13304501

SCHEMBL13304501

O=C(O)c1cnc(N2CCC(Cn3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DGAT1 O75907 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
SLC6A7 Q99884 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39
ALKBH1 Q13686 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL13304475 0.91 HDAC6 (0.51) HTTRXFP1HDAC6HDAC3HDAC4
SCHEMBL13304500 0.90 MEN1 (0.42) HTTRXFP1HDAC6SLC6A7MEN1
SCHEMBL13304506 0.90 HDAC6 (0.44) DGAT1HDAC6SLC6A7HDAC3HDAC4
SCHEMBL13304511 0.87 HDAC6 (0.42) HDAC6MEN1KMT2APOLB
SCHEMBL13304502 0.83 HDAC6 (0.38) HTTRXFP1DGAT1HDAC6CYP3A4
SCHEMBL13304597 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304478 0.81 HDAC6 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304505 0.80 HDAC6 (0.40) HTTDGAT1HDAC6MEN1KMT2A
SCHEMBL13304593 0.80 KDM1A (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304596 0.77 HDAC6 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7

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 HTT 981/4885RXFP1 1590/4885DGAT1 3765/4885

“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.