SCHEMBL4494473

SCHEMBL4494473

COc1ccc(OC)c(-c2ccc3c(NC(=O)CCC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.58
HDAC2 Q92769 11/20 0.58
HDAC8 Q9BY41 11/20 0.58
GSK3B P49841 4/20 0.51
HDAC6 Q9UBN7 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4489020 0.94 HDAC1 (0.56) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4498522 0.91 HDAC1 (0.55) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4492020 0.90 HDAC6 (0.62) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4486110 0.90 HDAC1 (0.71) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4505755 0.89 HDAC1 (0.68) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4476112 0.89 HDAC1 (0.56) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4502352 0.86 HDAC1 (0.70) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4494068 0.85 HDAC1 (0.54) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4494476 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4492977 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC8GSK3BHDAC6

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-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed
US-20090030020-A1 7H-Pyrido[3,4-D]Pyrimidin-8-Ones, Their Manufacture and Use as Protein Kinase Inhibitors HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090030020-A1 7H-Pyrido[3,4-D]Pyrimidin-8-Ones, Their Manufacture and Use as Protein Kinase Inhibitors MAP3K8, MAP4K2, MAP3K5 HDAC1 1432/4885HDAC2 2544/4885HDAC8 1701/4885

“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.