SCHEMBL2981880

SCHEMBL2981880

COC(=O)c1cnc(N2CCc3c([nH]c4ccc(Br)cc34)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.42
SIRT1 Q96EB6 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
OGA O60502 1/20 0.41
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2980788 0.92 BAZ2B (0.56) BAZ2BHDAC1HDAC6MEN1KMT2A
SCHEMBL2970402 0.89 BAZ2B (0.47) BAZ2BHDAC1HDAC6MEN1KMT2A
SCHEMBL2969790 0.85 TRPV1 (0.50) HDAC1HDAC6TRPV1KDM4E
SCHEMBL2978815 0.84 BAZ2B (0.46) BAZ2BMEN1KMT2AMAPTTRPV1
SCHEMBL2977779 0.81 BAZ2B (0.55) BAZ2BHDAC1HDAC6MEN1KMT2A
SCHEMBL2979518 0.80 HDAC6 (0.67) BAZ2BHDAC1HDAC6THRBUSP2
SCHEMBL2970696 0.80 BAZ2B (0.56) BAZ2BMEN1KMT2AOGAALDH1A1
SCHEMBL2979006 0.80 BAZ2B (0.55) BAZ2BHDAC1HDAC6MAPTSIRT1
SCHEMBL2979134 0.79 HDAC6 (0.60) BAZ2BHDAC1HDAC6TRPV1LMNA
SCHEMBL5452027 0.78 HDAC1 (0.54) BAZ2BHDAC1HDAC6THRBUSP2

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
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
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 BAZ2B 33/4885HDAC1 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.