SCHEMBL2980504

SCHEMBL2980504

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(NC(=O)OC(C)(C)C)c5)cc4c3C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
JAK2 O60674 1/20 0.38
CFTR P13569 2/20 0.36
ALOX15 P16050 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL5320029 0.90 SIRT2 (0.43) SIRT2TRPV1MEN1KMT2ACFTR
SCHEMBL2980506 0.85 SIRT2 (0.40) CYP17A1SIRT2TRPV1GABRA1GABRG2
SCHEMBL2986268 0.84 BAZ2B (0.46) SIRT2MEN1KMT2ACFTRALOX15
SCHEMBL2973481 0.83 SIRT2 (0.44) SIRT2TRPV1MEN1KMT2ACFTR
SCHEMBL2970389 0.82 SIRT2 (0.43) SIRT2MEN1KMT2ACFTRALOX15
SCHEMBL8259645 0.82 TBK1 (0.43)
SCHEMBL2980531 0.82 SIRT2 (0.43) SIRT2MEN1KMT2ACFTRALOX15
SCHEMBL2978678 0.82 SIRT2 (0.43) SIRT2TRPV1MEN1KMT2ACFTR
SCHEMBL2980630 0.81 SIRT2 (0.42) SIRT2MEN1KMT2ACFTRALOX15
SCHEMBL2975804 0.80 SIRT2 (0.42) SIRT2MEN1KMT2ACFTRALOX15

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 CYP17A1 1055/4885SIRT2 28/4885TRPV1 4254/4885

“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.