SCHEMBL2007502

SCHEMBL2007502

CCOC(=O)COc1ncc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
PTGER4 P35408 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 1/20 0.44
VCAM1 P19320 1/20 0.43
USP10 Q14694 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRK1 P41145 1/20 0.43
AGTR1 P30556 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL2818590 0.91 LMNA (0.52) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL5309167 0.90 MAPT (0.51) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL16545190 0.83 MAPT (0.51) MAPTPOLBMAPK1KMT2AALDH1A1
SCHEMBL2687080 0.82 LMNA (0.56) LMNAMAPTPOLBKMT2AALDH1A1
SCHEMBL20594660 0.82 MAPT (0.48) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL751950 0.81 LMNA (0.41) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL30046816 0.81 LMNA (0.41) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL15878469 0.81 MAPT (0.47) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL72187 0.81 MAPT (0.56) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL15889718 0.80 MAPT (0.40) LMNAMAPTPOLBMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 WO disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 WO disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 LMNA 2737/4885MAPT 4478/4885POLB 1032/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH LMNA 2883/4885MAPT 4694/4885POLB 822/4885
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 LMNA 3572/4885MAPT 1750/4885POLB 3140/4885

“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.