SCHEMBL404235

SCHEMBL404235

C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNc3ccc(Cl)nc3)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNE1 P15382 2/20 0.38
KCNQ1 P51787 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNJ11 Q14654 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
SCHEMBL10286215 0.90 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL402724 0.88 ACACB (0.40) MEN1MAPTKMT2A
SCHEMBL461314 0.87 DGAT1 (0.37)
SCHEMBL436614 0.86 MAPK1 (0.45) RAB9ASMN1; SMN2
SCHEMBL403111 0.86 NAMPT (0.39)
SCHEMBL404569 0.86 MEN1 (0.47) MEN1MAPTKMT2ARAB9A
SCHEMBL401654 0.83 PPARG (0.39)
SCHEMBL405339 0.83
SCHEMBL405583 0.83
SCHEMBL404716 0.82 PPARG (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US 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 (7 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885KCNE1 2922/4885

“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.