SCHEMBL8188907

SCHEMBL8188907

COc1ccc2c(c1)C=C(C(=O)O)CC(N)=N2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 2/20 0.41
TLR8 Q9NR97 5/20 0.41
KDM4E B2RXH2 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
MAOB P27338 1/20 0.36
SHMT2 P34897 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28129049 0.90 PRKAG1 (0.45) CA9TLR8ALDH1A1SMN1; SMN2
SCHEMBL8179510 0.88 CA12 (0.55) CA12CA9CA2TLR8KDM4E
SCHEMBL27936502 0.87 ALDH1A1 (0.44) TLR8ALDH1A1
SCHEMBL8188956 0.84 TLR8 (0.53) CA12CA9CA2TLR8KDM4E
SCHEMBL10343209 0.81 TLR8 (0.47) CA12CA9CA2TLR8KDM4E
SCHEMBL10343253 0.81 TLR8 (0.62) TLR8
SCHEMBL8558760 0.79 TLR8 (0.45) TLR8KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL10325465 0.79 KDM4E (0.39) TLR8KDM4ENOS3NOS1NOS2
SCHEMBL27950481 0.78 DHODH (0.42) TLR8
SCHEMBL28129051 0.75 TLR8 (0.37) TLR8

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
EP-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed
EP-2663555-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC (US) 2014-03-27 US disclosed
EP-2663555-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2013-11-20 EP disclosed
WO-2012097177-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2012-07-19 WO disclosed
US-6043238-A 2-Aminobenzazapine derivatives PFIZER INC. (US) 2000-03-28 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 (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-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 CA12 4572/4885CA9 3953/4885CA2 4450/4885

“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.