SCHEMBL2980506

SCHEMBL2980506

Cc1nc(N2CCc3[nH]c4ccc(-c5cccc(NC(=O)OC(C)(C)C)c5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
CYP17A1 P05093 1/20 0.39
PTPN11 Q06124 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DHODH Q02127 1/20 0.34
CFTR P13569 1/20 0.34
BAZ2B Q9UIF8 2/20 0.34
BCL2 P10415 1/20 0.34
BECN1 Q14457 1/20 0.34

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
SCHEMBL2978359 0.90 DHODH (0.44) SIRT2TRPV1PTPN11DHODHBAZ2B
SCHEMBL2980504 0.85 CYP17A1 (0.43) SIRT2TRPV1CYP17A1GABRA1GABRG2
SCHEMBL2986272 0.83 SIRT2 (0.46) SIRT2CFTRBAZ2BLMNAPABPC1
SCHEMBL2970394 0.82 SIRT2 (0.44) SIRT2CFTRBAZ2BLMNAPABPC1
SCHEMBL2973482 0.82 SIRT2 (0.44) SIRT2TRPV1CFTRBAZ2BLMNA
SCHEMBL2978681 0.81 SIRT2 (0.44) SIRT2TRPV1DHODHBAZ2BLMNA
SCHEMBL2980535 0.81 SIRT2 (0.44) SIRT2CFTRBAZ2B
SCHEMBL5374096 0.81 BAZ2B (0.51) SIRT2BAZ2B
SCHEMBL2980416 0.80 BAZ2B (0.47) BAZ2B
SCHEMBL2980633 0.80 SIRT2 (0.43) SIRT2CFTRBAZ2BLMNAPABPC1

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 28/4885TRPV1 4254/4885CYP17A1 1055/4885

“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.