SCHEMBL13304517

SCHEMBL13304517

CCOC(=O)c1cnc(N2CCOC(CN(CC(OC)OC)C(=O)Nc3ccccc3)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MTOR P42345 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38

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 0.83 P2RY12 (0.41) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304499 0.82 HTT (0.45) P2RY12SMN1; SMN2POLBNPC1TP53
SCHEMBL13304508 0.79 MAPT (0.41) P2RY12HDAC6SMN1; SMN2POLBNPC1
SCHEMBL13304515 0.77 CHEK1 (0.43) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304547 0.75 CHEK1 (0.48) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304522 0.74 P2RY12 (0.46) P2RY12HDAC6SMN1; SMN2POLBTP53
SCHEMBL753771 0.73 CHEK1 (0.58) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL13538787 0.73 HDAC6 (0.47) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL9971095 0.72 HDAC6 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538751 0.71 HDAC3 (0.44) P2RY12HDAC3HDAC4HDAC1HDAC7

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 4765/4885HDAC3 3/4885HDAC4 8/4885

“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.