SCHEMBL6699333

SCHEMBL6699333

O=[N+]([O-])c1ccc(C2CNCCN2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
SLC2A1 P11166 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
ADRB1 P08588 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL9733150 0.78 ALDH1A1 (0.51) ALDH1A1LMNANPSR1CYP1A2
SCHEMBL1639080 0.77 LMNA (0.43) MAPTALDH1A1LMNAADRA2AKMT2A
SCHEMBL9786136 0.77 LMNA (0.43) MAPTALDH1A1LMNAADRA2AKMT2A
SCHEMBL13490418 0.76 MAPT (0.41) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL8127951 0.76 ADRB1 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8133139 0.76 ADRB1 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
Oxalic Acid SCHEMBL522460 0.74 ALDH1A1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL27592214 0.74 PARP1 (0.34)
SCHEMBL9318307 0.72 NQO2 (0.40) MAPTALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL3387040 0.72 MAPT (0.49) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1594298-A Pyridine ring containing oxazolidinone compounds and preparation process and application thereof SHANGHAI INST MATERIA MEDICA (CN) 2005-03-16 CN claimed
CN-100545150-C Contain pyridine ring De oxazolidone compounds, Preparation method and use SHANGHAI INST MATERIA MEDICA (CN) 2009-09-30 CN disclosed
CN-1594298-A Pyridine ring containing oxazolidinone compounds and preparation process and application thereof SHANGHAI INST MATERIA MEDICA (CN) 2005-03-16 CN disclosed
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 US disclosed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 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-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors APOB, APOL1, TTR MAPT 1281/4885ALDH1A1 2752/4885LMNA 1646/4885

“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.