SCHEMBL979759

SCHEMBL979759

CC(C)(C)OC(=O)Nc1ccc(N2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 13/20 0.52
ALDH1A1 P00352 8/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
SIRT6 Q8N6T7 1/20 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
SCHEMBL21588984 0.90 MAPT (0.55) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL16071546 0.90 MAPT (0.62) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL16653873 0.88 TP53 (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL16665239 0.88 MAPT (0.46) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL975415 0.83 MAPT (0.59) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL5558333 0.82 RAB9A (0.44) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL12466626 0.82 MAPT (0.63) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL29523841 0.82 MAPT (0.63) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL20836823 0.82 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL19633356 0.82 KMT2A (0.38) KMT2AMEN1MAPTALDH1A1CYP1A2

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 KMT2A 86/4885MEN1 3674/4885MAPT 2144/4885

“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.