SCHEMBL1239899

SCHEMBL1239899

NC1=Nc2cc(OCc3ccccc3)ccc2C=C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.46
▸ TLR8 Q9NR97 2/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ NR4A2 P43354 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ SRD5A2 P31213 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ P4HTM Q9NXG6 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ MAOB P27338 3/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL12701620 0.87 TLR8 (0.57) TLR8TLR7ALOX5MEN1KMT2A
SCHEMBL1589391 0.84 TLR8 (0.65) TLR8TLR7
SCHEMBL19416417 0.80 MAOB (0.41) PARP10ALOX5MAOBGAAMAPT
SCHEMBL15608530 0.79 PARP10 (0.49) PARP10KDM4EALDH1A1HPGDALOX5
SCHEMBL8064409 0.75 MAOB (0.51) NR4A2NR4A1NR4A3SRD5A2KDM4E
SCHEMBL1093647 0.74 TLR8 (0.42) TLR8TLR7KDM4E
SCHEMBL19416341 0.73 MEN1 (0.45) TLR8TLR7ALDH1A1HPGDALOX5
SCHEMBL4707088 0.71 MAOB (0.58) NR4A2NR4A1NR4A3SRD5A2ALDH1A1
SCHEMBL1240513 0.71 TLR8 (0.53) TLR8TLR7
SCHEMBL6092993 0.71 ALOX5 (0.76) NR4A2NR4A1NR4A3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 — — US disclosed
EP-2467377-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-28 — — EP disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 — — US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 — — US disclosed
EP-2467377-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-04-21 — — US disclosed
WO-2011022508-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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 PARP10 1953/4885TLR8 1/4885TLR7 3/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 PARP10 1511/4885TLR8 1/4885TLR7 2/4885
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 PARP10 1953/4885TLR8 1/4885TLR7 3/4885

“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.

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