SCHEMBL2972061

SCHEMBL2972061

CC(=O)NCc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)O)c(C)n2)CC4)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
DHODH Q02127 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ACHE P22303 1/20 0.37
AKR1B1 P15121 1/20 0.37
MTOR P42345 1/20 0.37
VSIR Q9H7M9 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL2978681 0.89 SIRT2 (0.44) SIRT2ALDH1A1MAPTGAAMAPK1
SCHEMBL2978359 0.87 DHODH (0.44) SIRT2ALDH1A1DHODHTRPV1MTOR
SCHEMBL2970783 0.86 ACHE (0.41) SIRT2ALDH1A1MAPTGAATDP1
SCHEMBL2978997 0.86 ACHE (0.42) SIRT2ALDH1A1GAATDP1DHODH
SCHEMBL2979592 0.85 PARP1 (0.42) SIRT2ALDH1A1MAPTGAATDP1
SCHEMBL2986272 0.85 SIRT2 (0.46) SIRT2ALDH1A1MAPTGAAMAPK1
SCHEMBL2966428 0.84 SIRT2 (0.40) SIRT2ALDH1A1MAPTGAAMAPK1
SCHEMBL2979566 0.84 HDAC1 (0.47) SIRT2ALDH1A1MAPTGAAMAPK1
SCHEMBL2970394 0.83 SIRT2 (0.44) SIRT2ALDH1A1MAPTGAAMAPK1
SCHEMBL2973482 0.83 SIRT2 (0.44) SIRT2ALDH1A1MAPTGAATRPV1

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 SIRT2 28/4885ALDH1A1 806/4885MAPT 2758/4885

“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.