SCHEMBL403555

SCHEMBL403555

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.39
TAOK3 Q9H2K8 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
MAPK1 P28482 1/20 0.35
ANPEP P15144 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL1095920 0.92 KIFC1 (0.42) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL405490 0.91 TAOK1 (0.39) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL404846 0.90 KIFC1 (0.40) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL400722 0.89 CTSS (0.38) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL404042 0.87 TAOK1 (0.41) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL1095545 0.86 TAOK1 (0.45) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL403517 0.85 TAOK1 (0.40) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL400454 0.84 KMT2A (0.55) TAOK1TAOK3KMT2AL3MBTL1TAS1R3
SCHEMBL405000 0.84 CA12 (0.47) TAOK1TAOK3LMNAALDH1A1MAPK1
SCHEMBL403477 0.83 LMNA (0.44) KMT2ALMNAALDH1A1MAPK1

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 30 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 TAOK1 1470/4885TAOK3 2857/4885KMT2A 4800/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885KMT2A 4800/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885KMT2A 4800/4885

“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.