SCHEMBL13304524

SCHEMBL13304524

CCOC(=O)c1cnc(N2CCC(Cn3ccn(-c4cccc5ccccc45)c3=O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
OGA O60502 1/20 0.41
P2RY12 Q9H244 1/20 0.40
CASP3 P42574 1/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 3/20 0.37
HTR2C P28335 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.37
HCRTR1 O43613 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL13304505 0.84 HDAC6 (0.40) HDAC6OGAP2RY12TP53LMNA
SCHEMBL13304525 0.83 HDAC6 (0.43) HDAC6OGAP2RY12CASP3PKM
SCHEMBL13304500 0.82 MEN1 (0.42) HDAC6OGAP2RY12LMNAMAPT
SCHEMBL13304510 0.82 OGA (0.40) HDAC6OGAP2RY12LMNAMAPT
SCHEMBL12341274 0.74 CYP1A2 (0.52) HDAC6LMNAL3MBTL1ALOX15RAB9A
SCHEMBL2622717 0.72 OGA (0.47) HDAC6OGAP2RY12MAPTRAB9A
SCHEMBL13304518 0.71 HDAC6 (0.39) HDAC6OGAP2RY12LMNAHDAC3
SCHEMBL13304597 0.71 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13304506 0.71 HDAC6 (0.44) HDAC6KDM4EHDAC3HDAC1HDAC2
SCHEMBL649475 0.71 OGA (0.47) HDAC6OGAP2RY12LMNAMAPT

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 11/4885OGA 3002/4885P2RY12 4765/4885

“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.