SCHEMBL13304527

SCHEMBL13304527

O=C(NOC1CCCCO1)c1cnc(N2CCC(CN3CCN(c4cccc5ccccc45)C3=O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.43
P2RX3 P56373 1/20 0.41
SCN9A Q15858 10/20 0.40
HDAC1 Q13547 4/20 0.38
PDE5A O76074 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TGFBR1 P36897 1/20 0.35
ADORA2A P29274 1/20 0.35

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 0.84 HDAC6 (0.60) HDAC6SCN9AHDAC1PDE5AHDAC3
SCHEMBL13304526 0.81 HDAC6 (0.47) HDAC6SCN9ASCN10A
SCHEMBL13304525 0.78 HDAC6 (0.43) HDAC6SCN9ASCDSCN10A
SCHEMBL12341277 0.78 HDAC6 (0.47) HDAC6P2RX3HDAC1
SCHEMBL9883406 0.77 GSTP1 (0.38) HDAC6P2RX3HDAC1HDAC3HDAC2
SCHEMBL15341335 0.76 KDM1A (0.39) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL12896019 0.75 P2RX3 (0.46) HDAC6P2RX3HDAC1HDAC3HDAC2
SCHEMBL10175644 0.75 BCHE (0.47) HDAC6P2RX3HDAC1HDAC3HDAC2
SCHEMBL9883572 0.74 HDAC6 (0.56) HDAC6P2RX3HDAC1HDAC3HDAC2
SCHEMBL9883523 0.74 HDAC6 (0.42) HDAC6P2RX3HDAC1HDAC3HDAC2

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 11/4885P2RX3 3861/4885SCN9A 1988/4885

“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.