SCHEMBL10325465

SCHEMBL10325465

NC1=Nc2ccc(Br)cc2C=C(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
TLR8 Q9NR97 13/20 0.35
TLR7 Q9NYK1 7/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PIM1 P11309 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL1093647 0.88 TLR8 (0.42) KDM4EGLATLR8TLR7
SCHEMBL8195020 0.78 TLR8 (0.42) TLR8TLR7NOS3NOS1NOS2
SCHEMBL27936568 0.76 TLR8 (0.38) TLR8TLR7ALDH1A1
SCHEMBL28145446 0.76 TLR8 (0.42) TLR8TLR7
SCHEMBL28129049 0.75 PRKAG1 (0.45) TLR8TLR7MAPTALDH1A1SMN1; SMN2
SCHEMBL3093660 0.74 SRD5A1 (0.40) KDM4EGLAPIM1POLBMAPT
SCHEMBL18307120 0.74 TLR8 (0.52) TLR8TLR7
SCHEMBL10326000 0.74 SOS1 (0.31)
SCHEMBL27936566 0.74 MAP4K4 (0.40) TLR8TLR7
SCHEMBL19398239 0.72 RECQL (0.35) KDM4EGLATLR8TLR7ALDH1A1

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 7 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
CN-103562186-B Substituted benzazepines as modulators of TOLL-like receptors 帆德制药股份有限公司 2017-02-15 CN disclosed
EP-2663550-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 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

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 KDM4E 833/4885GLA 3411/4885TLR8 1/4885

“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.