SCHEMBL976809

SCHEMBL976809

Nc1cc(N2CCCC2)ccc1NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
S100B P04271 2/20 0.50
LMNA P02545 4/20 0.48
HDAC1 Q13547 1/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
PKM P14618 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SERPINE1 P05121 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL978356 0.79 S100B (0.46) IP6K1S100BLMNAHDAC1MAPT
SCHEMBL6608182 0.76 TSHR (0.48) HDAC1MAPTALDH1A1GAAKMT2A
SCHEMBL21485052 0.76 S100B (0.59) IP6K1S100BLMNAMAPTALDH1A1
SCHEMBL19690606 0.76 KCNQ2 (0.52) HDAC1MAPTALDH1A1KMT2AHDAC3
SCHEMBL19690466 0.76 HDAC3 (0.49) HDAC1MAPTALDH1A1KMT2AHDAC3
SCHEMBL19690570 0.76 HDAC3 (0.49) HDAC1MAPTHDAC3HDAC8TP53
SCHEMBL25318559 0.75 HDAC3 (0.56) IP6K1HDAC1MAPTALDH1A1GAA
SCHEMBL3504979 0.75 HDAC3 (0.60) HDAC1MAPTALDH1A1GAAMEN1
SCHEMBL29524026 0.75 HDAC1 (0.56) HDAC1MAPTMEN1KMT2APKM
SCHEMBL18039286 0.75 HDAC1 (0.56) HDAC1MAPTMEN1KMT2APKM

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 IP6K1 1630/4885S100B 4881/4885LMNA 3764/4885

“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.