SCHEMBL4467439

SCHEMBL4467439

Cn1ccc([N+](=O)[O-])c([N+](=O)[O-])c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
HTR7 P34969 1/20 0.45
TSHR P16473 1/20 0.44
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL27600495 0.81 ALDH1A1 (0.50) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL31440040 0.79 GAA (0.46) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL27041924 0.79 GAA (0.46) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL6286816 0.79 GAA (0.46) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL16652388 0.79 GAA (0.46) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL29613215 0.75 GAA (1.00) GAAMAPTTSHRALDH1A1NPC1
SCHEMBL3752114 0.75 GAA (1.00) GAAMAPTTSHRALDH1A1NPC1
SCHEMBL173611 0.74 GAA (0.62) GAAMAPTNPSR1LMNAKDM4E
SCHEMBL11710730 0.71 CYP2A6 (0.43) GAAMAPTALDH1A1RAB9AMEN1
SCHEMBL7559094 0.69 HTR7 (0.45) GAAMAPTNPSR1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534799-B2 Pyridomorphinans, thienomorphinans and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2009-05-19 US disclosed
US-20060264452-A1 Pyridomorphinans, thienomorphinans and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2006-11-23 US disclosed
US-7105675-B2 Pyridomorphinans, thienomorphinans and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2006-09-12 US disclosed
US-7015326-B1 Pyridomorphinans, thienomorphinans and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2006-03-21 US disclosed
US-20060047119-A1 Pyridomorphinans, thienomorphinans and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2006-03-02 US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 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 (3 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-20060264452-A1 Pyridomorphinans, thienomorphinans and use thereof OPRL1, OPRM1, OPRK1 GAA 4260/4885MAPT 4107/4885NPSR1 105/4885
US-20060047119-A1 Pyridomorphinans, thienomorphinans and use thereof OPRL1, OPRM1, OPRK1 GAA 4260/4885MAPT 4107/4885NPSR1 105/4885
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 GAA 4585/4885MAPT 2605/4885NPSR1 192/4885

“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.