SCHEMBL404360

SCHEMBL404360

O=C(NC(CO)C(=O)NO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
CTSB P07858 2/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK13 O15264 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
PRKCG P05129 1/20 0.51
CDK1 P06493 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51

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
SCHEMBL405134 0.88 NPC1 (0.54) HPGDSCTSBNPC1RAB9APRKACA
SCHEMBL401441 0.86 HPGDS (0.54) HPGDSCTSBNPC1RAB9AMAPK13
SCHEMBL12837590 0.86 RAB9A (0.58) HPGDSCTSBNPC1RAB9ACTSS
SCHEMBL401005 0.86 HPGDS (0.54) HPGDSCTSBNPC1RAB9AMAPK13
SCHEMBL403129 0.85 TAS1R3 (0.51) CTSBNPC1RAB9ACTSSCTSK
SCHEMBL404390 0.85 TAS1R3 (0.51) CTSBNPC1RAB9ACTSSCTSK
SCHEMBL12985717 0.85 CA2 (0.65) HPGDSCTSBNPC1RAB9AMAPK13
SCHEMBL10346696 0.85 CA2 (0.65) HPGDSCTSBNPC1RAB9AMAPK13
SCHEMBL12837392 0.84 CA2 (0.48)
SCHEMBL18803705 0.84 NPC1 (0.59) HPGDSCTSBNPC1RAB9AMAPK13

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP 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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-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-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 (4 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 HPGDS 253/4885CTSB 259/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885NPC1 371/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885NPC1 371/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885NPC1 371/4885

“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.