SCHEMBL978356

SCHEMBL978356

CC(C)(C)OC(=O)Nc1ccc(N2CCCC2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.46
IP6K1 Q92551 1/20 0.45
AAK1 Q2M2I8 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC1 Q13547 1/20 0.41
CSF1R P07333 3/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL21600746 0.90 HDAC1 (0.52) S100BIP6K1AAK1MAPTLMNA
SCHEMBL16071545 0.89 HDAC1 (0.51) S100BIP6K1AAK1MAPTLMNA
SCHEMBL12457408 0.82 NPSR1 (0.47) MAPTLMNAMEN1ALDH1A1GAA
SCHEMBL6166893 0.81 TSHR (0.42) AAK1MAPTMEN1ALDH1A1GAA
SCHEMBL979759 0.81 KMT2A (0.53) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL5561876 0.81 AAK1 (0.42) AAK1ALDH1A1HTTL3MBTL1
SCHEMBL12466602 0.80 MAPT (0.51) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL6164845 0.80 MAPT (0.40) AAK1MAPTLMNAMEN1ALDH1A1
SCHEMBL21600784 0.79 ABL1 (0.44) L3MBTL1HDAC3HDAC1
SCHEMBL976809 0.79 IP6K1 (0.56) S100BIP6K1MAPTLMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 S100B 4881/4885IP6K1 1630/4885AAK1 3002/4885

“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.