SCHEMBL13304522

SCHEMBL13304522

CCOC(=O)c1cnc(N2CCC(CN(CC(OC)OC)C(=O)Nc3cccc4ccccc34)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.46
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.39
CDC25B P30305 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.36
PTPN11 Q06124 2/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
TLR2 O60603 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACB O00763 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
SCHEMBL13304503 0.85 P2RY12 (0.41) P2RY12ALDH1A1POLBKDM4ETP53
SCHEMBL13304499 0.84 HTT (0.45) P2RY12ALDH1A1USP2POLBHPGD
SCHEMBL13304508 0.83 MAPT (0.41) P2RY12POLBKMT2ATP53MAPT
SCHEMBL13304517 0.74 P2RY12 (0.42) P2RY12ALDH1A1POLBKDM4EKMT2A
SCHEMBL13304498 0.72 ACACB (0.43) POLBMAPTHDAC6ACACB
SCHEMBL13304541 0.71 PABPC1 (0.39) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL9883607 0.69 HDAC3 (0.53) ALDH1A1USP2KDM4ETP53LMNA
SCHEMBL13036251 0.69 HDAC6 (0.40) P2RY12POLBKMT2ATP53LMNA
SCHEMBL13304524 0.69 HDAC6 (0.43) P2RY12POLBKDM4ETP53LMNA
SCHEMBL13304525 0.69 HDAC6 (0.43) P2RY12POLBKDM4ETP53LMNA

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 P2RY12 4765/4885ALDH1A1 572/4885USP2 1666/4885

“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.