SCHEMBL1109448

SCHEMBL1109448

C[C@@H](N)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccncc3)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NAMPT P43490 9/20 0.48
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
MMP13 P45452 1/20 0.39
CHEK1 O14757 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
SCHEMBL404128 0.92 KDM4E (0.49) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL1109154 0.91 KDM4E (0.53) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL1109524 0.90 RECQL (0.47) KDM4EALDH1A1LMNAHPGD
SCHEMBL10287236 0.89 HTT (0.51) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL10286687 0.89 LMNA (0.46) KDM4EALDH1A1LMNAHPGD
SCHEMBL12064353 0.88 KDM4E (0.49) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL1109455 0.85 KDM4E (0.51) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL13659667 0.84 KDM4E (0.51) KDM4EALDH1A1NAMPTLMNAHPGD
SCHEMBL1109527 0.84 ROCK1 (0.45) NAMPTLMNAHPGDROCK2ROCK1
SCHEMBL404283 0.83 KDM4E (0.50) KDM4EALDH1A1NAMPTLMNAHPGD

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 KDM4E 4327/4885ALDH1A1 782/4885NAMPT 1048/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885NAMPT 1048/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885NAMPT 1048/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885NAMPT 1048/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885NAMPT 1048/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885NAMPT 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.