SCHEMBL1109520

SCHEMBL1109520

NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)nc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
DGAT1 O75907 2/20 0.41
LMNA P02545 1/20 0.40
RPS6KA5 O75582 2/20 0.39
AKT1 P31749 2/20 0.39
GSK3B P49841 2/20 0.39
NEK4 P51957 2/20 0.39
PRKCD Q05655 2/20 0.39
PRKG2 Q13237 2/20 0.39
ROCK1 Q13464 2/20 0.39
PRKG1 Q13976 2/20 0.39
PKN2 Q16513 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MAPK13 O15264 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL1109400 0.85 CTSB (0.47) CTSSRPS6KA5AKT1GSK3BNEK4
SCHEMBL1109525 0.85 HDAC1 (0.42) DGAT1RPS6KA5AKT1GSK3BNEK4
SCHEMBL404318 0.85 FFAR1 (0.44)
SCHEMBL1109399 0.84 HTT (0.48) LMNA
SCHEMBL401441 0.82 HPGDS (0.54) CTSSRPS6KA5AKT1GSK3BNEK4
SCHEMBL401005 0.82 HPGDS (0.54) CTSSRPS6KA5AKT1GSK3BNEK4
SCHEMBL1109185 0.80 CTSB (0.43) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL29534040 0.80 OGG1 (0.49) CTSLCTSSLMNARPS6KA5AKT1
SCHEMBL1109484 0.80 ANPEP (0.50) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL12064333 0.79 ANPEP (0.45) CTSSCTSB

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 11 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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3846/4885CTSL 127/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885CTSL 127/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885CTSL 127/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885CTSL 127/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885CTSL 127/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KCNQ3 3939/4885KCNQ2 3846/4885CTSL 127/4885

“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.