SCHEMBL1237443

SCHEMBL1237443

O=Cc1ccc(-c2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ERN1 O75460 9/20 0.46
KDM4E B2RXH2 1/20 0.43
METAP1 P53582 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL7229501 0.81 CYP2A6 (0.42) MAPTNPC1RAB9AERN1KDM4E
SCHEMBL6503392 0.79 MAPT (0.49) TLR4TLR2MAPTNPC1RAB9A
SCHEMBL3031212 0.79 MAPT (0.63) TLR4TLR2MAPTNPC1RAB9A
SCHEMBL6974757 0.79 AURKB (0.50) TLR4TLR2MAPTNPC1RAB9A
SCHEMBL12643379 0.79 MAPT (0.69) TLR4TLR2MAPTNPC1RAB9A
SCHEMBL8302605 0.79 MAPT (0.62) TLR4TLR2MAPTNPC1RAB9A
SCHEMBL14714243 0.79 MAPT (0.53) MAPTERN1KDM4EPOLB
SCHEMBL5381509 0.79 CRHBP (0.54) MAPTERN1KDM4EPOLB
SCHEMBL7229673 0.78 ERN1 (0.46) MAPTNPC1RAB9AERN1KDM4E
SCHEMBL13736898 0.77 MAPT (0.49) TLR4TLR2MAPTNPC1RAB9A

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
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
EP-2467380-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-05-22 US disclosed
US-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
CN-102781933-A Substituted benzazepines as modulators of TOLL-like receptors VENTIRX PHARMACEUTICALS INC 2012-11-14 CN disclosed
EP-2467380-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 TLR4 4/4885TLR2 7/4885MAPT 4097/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 TLR4 4/4885TLR2 7/4885MAPT 4097/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 TLR4 4/4885TLR2 7/4885MAPT 4097/4885

“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.