SCHEMBL2970783

SCHEMBL2970783

CC(=O)N1CCN(Cc2cccc(-c3ccc4[nH]c5c(c4c3)CN(c3ncc(C(=O)O)c(C)n3)CC5)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
DHODH Q02127 1/20 0.41
BAZ2B Q9UIF8 5/20 0.41
AKR1B1 P15121 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
CHEK1 O14757 3/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDR P35968 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL2978997 0.91 ACHE (0.42) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2979592 0.91 PARP1 (0.42) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2978937 0.90 ACHE (0.40) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2978681 0.87 SIRT2 (0.44) ACHEDHODHBAZ2BAKR1B1SIRT2
SCHEMBL2978158 0.87 DHODH (0.46) ACHEDHODHAKR1B1
SCHEMBL2972061 0.86 SIRT2 (0.41) ACHEDHODHBAZ2BAKR1B1SIRT2
SCHEMBL2980337 0.86 AKR1B1 (0.45) ACHEDHODHAKR1B1ALDH1A1GAA
SCHEMBL2971576 0.84 HDAC6 (0.50) ACHEBAZ2BAKR1B1KDR
SCHEMBL2970778 0.84 BAZ2B (0.42) ACHEBAZ2BAKR1B1SIRT2CHEK1
SCHEMBL8256003 0.83 CHEK1 (0.40) ACHEBAZ2BAKR1B1SIRT2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 ACHE 4080/4885DHODH 2851/4885BAZ2B 33/4885

“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.