SCHEMBL404529

SCHEMBL404529

CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NCCN(O)C(=O)N3CCOCC3)[C@@H](C)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
CD274 Q9NZQ7 6/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
TAOK1 Q7L7X3 2/20 0.37
TAOK3 Q9H2K8 1/20 0.37
MCHR1 Q99705 1/20 0.36
TACR2 P21452 1/20 0.36
FKBP1A P62942 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
SCHEMBL404973 0.92 LMNA (0.44) LMNAHRH3ALDH1A1TAOK1TAOK3
SCHEMBL1096023 0.90 LMNA (0.45) LMNAALDH1A1TAOK1TAOK3MCHR1
SCHEMBL403500 0.87 CD274 (0.48) CD274ALDH1A1HPGD
SCHEMBL404042 0.83 TAOK1 (0.41) LMNAALDH1A1MAPK1TAOK1TAOK3
SCHEMBL403517 0.81 TAOK1 (0.40) LMNAALDH1A1MAPK1TAOK1TAOK3
SCHEMBL403782 0.81 HRH3 (0.42) LMNAHRH3ALDH1A1MAPTMAPK1
SCHEMBL1095920 0.81 KIFC1 (0.42) LMNAALDH1A1TAOK1TAOK3
SCHEMBL403555 0.81 TAOK1 (0.39) LMNAALDH1A1MAPK1TAOK1TAOK3
SCHEMBL1095545 0.80 TAOK1 (0.45) LMNAALDH1A1TAOK1TAOK3MCHR1
SCHEMBL405490 0.80 TAOK1 (0.39) LMNAALDH1A1TAOK1TAOK3

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 31 patents — showing the first 20. 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-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-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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-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-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-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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HRH3 4195/4885CD274 4420/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HRH3 4195/4885CD274 4420/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HRH3 4195/4885CD274 4420/4885

“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.