SCHEMBL979867

SCHEMBL979867

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.77
MAPT P10636 16/20 0.64
ALDH1A1 P00352 7/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C19 P33261 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HPGD P15428 2/20 0.60
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.55
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL30059159 0.87 LMNA (1.00) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3109069 0.87 LMNA (1.00) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21761929 0.86 LMNA (0.58) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10330200 0.86 SIRT6 (0.78) LMNAMAPTALDH1A1L3MBTL1RECQL
SCHEMBL29843690 0.86 MAPT (0.65) LMNAMAPTALDH1A1L3MBTL1HPGD
SCHEMBL16654714 0.86 MAPT (0.78) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL5445416 0.86 MAPT (0.65) LMNAMAPTALDH1A1L3MBTL1HPGD
SCHEMBL3381562 0.85 LMNA (0.97) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8074050 0.85 LMNA (0.97) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22114735 0.84 LMNA (0.56) LMNAMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992053-B1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIV DEGLI STUDI DI FIRENZE (IT) 2018-11-28 EP disclosed
EP-2992053-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY Universita' Degli Studi di Firenze (IT) 2016-03-09 EP disclosed
WO-2014177528-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-11-06 WO disclosed
WO-2014177528-A1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-11-06 WO disclosed
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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 LMNA 3764/4885MAPT 2144/4885ALDH1A1 912/4885

“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.