SCHEMBL2980337

SCHEMBL2980337

Cc1nc(N2CCc3[nH]c4ccc(-c5ccc(CN6CCCC6)cc5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ACHE P22303 4/20 0.43
DHODH Q02127 3/20 0.42
NPC1 O15118 1/20 0.42
CHEK1 O14757 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 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
SCHEMBL2966428 0.90 SIRT2 (0.40) AKR1B1HDAC1HDAC6ACHEDHODH
SCHEMBL2978997 0.87 ACHE (0.42) AKR1B1HDAC1HDAC6ACHEDHODH
SCHEMBL2978158 0.87 DHODH (0.46) AKR1B1HDAC6ACHEDHODH
SCHEMBL2979592 0.86 PARP1 (0.42) AKR1B1ACHEDHODHUSP2ALDH1A1
SCHEMBL2970783 0.86 ACHE (0.41) AKR1B1ACHEDHODHCHEK1USP2
SCHEMBL2981584 0.85 SIRT2 (0.40) DHODHALDH1A1GAA
SCHEMBL2978937 0.84 ACHE (0.40) AKR1B1HDAC1HDAC6ACHEDHODH
SCHEMBL2978681 0.84 SIRT2 (0.44) AKR1B1ACHEDHODHALDH1A1GAA
SCHEMBL2986272 0.83 SIRT2 (0.46) ALDH1A1GAA
SCHEMBL2979164 0.83 BAZ2B (0.54) HDAC1HDAC6ACHENPC1USP2

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 AKR1B1 1075/4885HDAC1 1/4885HDAC6 11/4885

“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.