SCHEMBL1235982

SCHEMBL1235982

CCCN(Cc1ccccc1O)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
NCOR2 Q9Y618 3/20 0.44
TP53 P04637 1/20 0.41
SSTR4 P31391 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AKR1B1 P15121 1/20 0.38
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30174644 0.89 SSTR4 (0.50) HTR1AHDAC1HDAC3HDAC2NCOR2
SCHEMBL25516985 0.89 SSTR4 (0.50) HTR1AHDAC1HDAC3HDAC2NCOR2
SCHEMBL9060170 0.82 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL21092036 0.82 CYP2D6 (0.45) HDAC1HDAC3HDAC2NCOR2NPSR1
SCHEMBL1845414 0.80 AKR1B1 (0.43) HTR1AHDAC1HDAC3HDAC2NCOR2
SCHEMBL18733817 0.78 AKR1B1 (0.41) HDAC1HDAC3HDAC2NCOR2KMT2A
SCHEMBL29555802 0.77 EGFR (0.50) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL27779343 0.76 SSTR4 (0.41) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL2608081 0.76 CA14 (0.49) HDAC1HDAC3HDAC2NCOR2TP53
SCHEMBL18845331 0.75 HDAC3 (0.50) HDAC1HDAC3HDAC2NCOR2TP53

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-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 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-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US 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 (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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 HTR1A 414/4885HDAC1 317/4885HDAC3 445/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 HTR1A 414/4885HDAC1 317/4885HDAC3 445/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 HTR1A 414/4885HDAC1 317/4885HDAC3 445/4885

“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.