SCHEMBL406829

SCHEMBL406829

CN(C)/C=C/c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S100A4 P26447 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ERN1 O75460 1/20 0.40
BACE1 P56817 1/20 0.39
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL29996459 1.00 PTGS2 (0.47) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL1096483 1.00 PTGS2 (0.47) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL3933619 0.88 BACE1 (0.40) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL3933622 0.88 BACE1 (0.40) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL9848580 0.83 ALDH1A1 (0.61) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL11264900 0.83 TSHR (0.53) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL8957884 0.83 ALDH1A1 (0.61) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL11264895 0.83 TSHR (0.53) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL405375 0.81 ALDH1A1 (0.49) PTGS2MAPTALDH1A1MAPK1HTT
SCHEMBL440162 0.81 ALDH1A1 (0.49) PTGS2MAPTALDH1A1MAPK1HTT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
EP-3081558-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2016-10-19 EP disclosed
EP-3081558-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2016-10-19 EP disclosed
US-RE44354-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-09 US disclosed
US-RE44338-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-02 US disclosed
US-8304407-B2 8-substituted benzoazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-11-06 US disclosed
EP-1940797-B1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
EP-1940797-B1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
US-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2012-06-28 US disclosed
US-8153622-B2 modulating a patient's immune system; treating autoimmunity, inflammation allergy, asthma, transplant rejection, graft versus host disease, infection, sepsis, cancer and immunodeficiency; (1E,4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate; antiinflammatory, anticarcinogenic agents ARRAY BIOPHARMA INC. (US) 2012-04-10 US disclosed
EP-2322510-A2 8-substituted benzoazepines as toll-like receptor modulators Array Biopharma, Inc. (US) 2011-05-18 EP disclosed
EP-2322510-A2 8-substituted benzoazepines as toll-like receptor modulators Array Biopharma, Inc. (US) 2011-05-18 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2008-09-25 US disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
EP-1940797-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-07-09 EP disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
WO-2007024612-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-03-01 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 (4 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-20120165317-A1 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR7, TLR9 PTGS2 1374/4885MAPT 3147/4885ALDH1A1 3474/4885
US-20080234251-A1 8-Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 PTGS2 1374/4885MAPT 3147/4885ALDH1A1 3474/4885
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP PTGS2 2551/4885MAPT 13/4885ALDH1A1 1209/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PTGS2 501/4885MAPT 2336/4885ALDH1A1 1909/4885

“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.