SCHEMBL1238255

SCHEMBL1238255

CCCNCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PAOX Q6QHF9 1/20 0.33
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6523913 0.92 TSHR (0.39) DUTALDH1A1TSHRHRH4HRH3
SCHEMBL31283347 0.92 DUT (0.38) DUT
SCHEMBL1803181 0.88 HTR1B (0.31) DUT
SCHEMBL17520284 0.87 TSHR (0.43) DUTALDH1A1TSHRHRH4HRH3
SCHEMBL24387070 0.85 CA12 (0.41) DUTALDH1A1TSHRMEN1CYP2C19
SCHEMBL31024461 0.83 CA12 (0.43) DUTTSHRPAOXMEN1CYP2C19
SCHEMBL19543533 0.80 DUT (0.35) DUTALDH1A1TSHR
SCHEMBL1317211 0.79 ADRB2 (0.42) DUTALDH1A1TSHRCYP2C19
SCHEMBL844556 0.79 DUT (0.33) DUT
SCHEMBL16257046 0.78 DUT (0.33) DUT

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 14 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-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
EP-2663555-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
EP-2467380-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-05-22 US 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
US-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
WO-2012097177-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2012-07-19 WO disclosed
EP-2467380-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2011022509-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 (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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 DUT 3940/4885ALDH1A1 1667/4885TSHR 2731/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 DUT 3940/4885ALDH1A1 1667/4885TSHR 2731/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 DUT 3940/4885ALDH1A1 1667/4885TSHR 2731/4885
US-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 DUT 3979/4885ALDH1A1 2203/4885TSHR 2315/4885

“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.