SCHEMBL13304526

SCHEMBL13304526

O=C(O)c1cnc(N2CCC(CN3CCN(c4cccc5ccccc45)C3=O)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
SCN9A Q15858 15/20 0.46
HTR2C P28335 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL13304558 0.90 HDAC6 (0.60) HDAC6SCN9A
SCHEMBL13304525 0.88 HDAC6 (0.43) HDAC6SCN9AHTR2CSCN10APOLB
SCHEMBL13304527 0.81 HDAC6 (0.43) HDAC6SCN9ASCN10A
SCHEMBL8244732 0.73 HDAC6 (0.57) HDAC6
SCHEMBL12341275 0.71 HDAC6 (0.52) HDAC6
SCHEMBL13304573 0.71 HDAC6 (0.52) HDAC6
SCHEMBL13304524 0.70 HDAC6 (0.43) HDAC6HTR2CPOLB
SCHEMBL8208254 0.68 POLB (0.58) HDAC6POLB
SCHEMBL379552 0.67 POLB (0.56) HDAC6POLB
SCHEMBL15341332 0.67 POLB (0.56) HDAC6POLB

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 11/4885SCN9A 1988/4885HTR2C 2689/4885

“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.