SCHEMBL405134

SCHEMBL405134

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PRKACA P17612 1/20 0.53
CDK8 P49336 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
ROCK1 Q13464 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
HPGDS O60760 1/20 0.53
CTSB P07858 2/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
ADAM17 P78536 1/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL404360 0.88 HPGDS (0.55) NPC1RAB9APRKACAGSK3AGSK3B
SCHEMBL401441 0.84 HPGDS (0.54) NPC1RAB9AGSK3AGSK3BPRKCQ
SCHEMBL401005 0.84 HPGDS (0.54) NPC1RAB9AGSK3AGSK3BPRKCQ
SCHEMBL12837590 0.84 RAB9A (0.58) NPC1RAB9AHPGDSCTSBADAMTS4
SCHEMBL14400821 0.80 CTSB (0.53) NPC1RAB9AHPGDSCTSBADAMTS4
SCHEMBL14714631 0.80 HPGDS (0.60) NPC1RAB9AHPGDSCTSBCTSS
SCHEMBL10286718 0.79 NPC1 (0.53) NPC1RAB9AHPGDSCTSBADAMTS4
SCHEMBL10287194 0.79 CTSB (0.55) NPC1RAB9AHPGDSCTSBCTSS
SCHEMBL1109400 0.78 CTSB (0.47) NPC1RAB9AGSK3AGSK3BPRKCQ
SCHEMBL9829492 0.78 SLC1A2 (0.53)

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 32 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 NPC1 371/4885RAB9A 557/4885PRKACA 2792/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885PRKACA 2792/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885PRKACA 2792/4885

“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.