SCHEMBL13304525

SCHEMBL13304525

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
SCN9A Q15858 6/20 0.43
CASP3 P42574 1/20 0.42
P2RY12 Q9H244 1/20 0.40
HTR2C P28335 2/20 0.40
PTPN11 Q06124 1/20 0.39
OGA O60502 1/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 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
SCD O00767 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 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
SCHEMBL13304526 0.88 HDAC6 (0.47) HDAC6SCN9AHTR2CPOLBSCN10A
SCHEMBL13304558 0.85 HDAC6 (0.60) HDAC6SCN9A
SCHEMBL13304524 0.83 HDAC6 (0.43) HDAC6CASP3P2RY12HTR2CPTPN11
SCHEMBL13304527 0.78 HDAC6 (0.43) HDAC6SCN9ASCDSCN10A
SCHEMBL12341274 0.74 CYP1A2 (0.52) HDAC6LMNAALOX15RAB9ASMN1; SMN2
SCHEMBL2622717 0.72 OGA (0.47) HDAC6P2RY12PTPN11OGAMAPT
SCHEMBL649475 0.71 OGA (0.47) HDAC6P2RY12PTPN11OGAMAPT
SCHEMBL20046331 0.70 OGA (0.46) HDAC6P2RY12PTPN11OGAMAPT
SCHEMBL4211279 0.69 OGA (0.49) P2RY12PTPN11OGAMAPTPOLB
SCHEMBL15994455 0.69 OGA (0.49) P2RY12OGAPKMMAPTPOLB

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 1988/4885CASP3 942/4885

“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.