SCHEMBL404530

SCHEMBL404530

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

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.46
TAOK3 Q9H2K8 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.42
PLK1 P53350 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL400177 0.86 TAS1R3 (0.50) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL401432 0.84 TAS1R3 (0.48) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL4243206 0.83 CTSL (0.41) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL404042 0.82 TAOK1 (0.41) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL9994829 0.82 TAOK1 (0.41) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL405490 0.81 TAOK1 (0.39) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL403517 0.81 TAOK1 (0.40) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL404935 0.80 PLK1 (0.54) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL403555 0.80 TAOK1 (0.39) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1
SCHEMBL1095920 0.80 KIFC1 (0.42) TAOK1TAOK3TAS1R3TAS1R1L3MBTL1

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-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-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 2857/4885TAS1R3 4169/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885TAS1R3 4169/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885TAS1R3 4169/4885

“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.