SCHEMBL1109527

SCHEMBL1109527

C[C@@H](N)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
ANPEP P15144 1/20 0.42
NAMPT P43490 1/20 0.41
ROCK2 O75116 3/20 0.40
HDAC1 Q13547 1/20 0.40
DGAT1 O75907 2/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.39
FPR1 P21462 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL402723 0.92 ANPEP (0.40) ANPEPNAMPTHDAC1FPR1GRM5
SCHEMBL1109362 0.92 ANPEP (0.43) ROCK1ANPEPNAMPTROCK2HDAC1
SCHEMBL10286687 0.89 LMNA (0.46) ANPEPHDAC1DGAT1CSGALNACT1LMNA
SCHEMBL1109524 0.89 RECQL (0.47) HDAC1LMNAHPGDMAPT
SCHEMBL1109332 0.86 ROCK1 (0.44) ROCK1ANPEPNAMPTROCK2HDAC1
SCHEMBL13659436 0.85 ANPEP (0.41) ANPEPNAMPTROCK2FPR1LMNA
SCHEMBL404246 0.84 ANPEP (0.41) ANPEPNAMPTGRM5
SCHEMBL10287236 0.84 HTT (0.51) NAMPTHDAC1LMNAHPGD
SCHEMBL1109149 0.84 LMNA (0.41) ANPEPDGAT1CSGALNACT1LMNAHPGD
SCHEMBL1109448 0.84 KDM4E (0.52) ROCK1NAMPTROCK2LMNAHPGD

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 ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ROCK1 3701/4885ANPEP 744/4885NAMPT 1048/4885

“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.