SCHEMBL10325829

SCHEMBL10325829

O=Cc1cc(OCc2ccccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.57
TLR2 O60603 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BACE1 P56817 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MGMT P16455 1/20 0.44
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.40
CTSB P07858 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
SCHEMBL1663131 0.85 TLR4 (0.56) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8308756 0.82 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21617211 0.82 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504360 0.82 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21617231 0.82 MAPT (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504415 0.82 MAPT (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31053128 0.82 BACE1 (0.61) TLR4TLR2SMN1; SMN2BACE1MEN1
SCHEMBL1646385 0.82 BACE1 (0.61) TLR4TLR2SMN1; SMN2BACE1MEN1
SCHEMBL8800062 0.81 PDE10A (0.54)
SCHEMBL810027 0.80 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2

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
EP-2663555-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
CN-103562201-B Substituted benzazepines as modulators of TOLL-like receptors 帆德制药股份有限公司 2016-10-19 CN disclosed
US-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC (US) 2014-03-27 US disclosed
CN-103562201-A Substituted benzazepines as modulators of TOLL-like receptors VENTIRX PHARMACEUTICALS INC 2014-02-05 CN 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 TLR4 6/4885TLR2 8/4885ALDH1A1 2203/4885

“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.