SCHEMBL404649

SCHEMBL404649

O=C(NO)C1CNCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.48
MMP2 P08253 9/20 0.48
MMP9 P14780 9/20 0.48
MMP8 P22894 8/20 0.48
GRM5 P41594 3/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1912229 0.87 MMP9 (0.44) MMP13MMP2MMP9CA1CA2
SCHEMBL403669 0.76 CCNC (0.44) MMP13MMP2MMP9MMP8CA1
SCHEMBL11590269 0.74 SIGMAR1 (0.53) CA1CA2CA4CA9SIGMAR1
SCHEMBL4563424 0.74 SIGMAR1 (0.47) GRM5CA1CA2CA4CA9
SCHEMBL3640363 0.73 SIGMAR1 (0.73) GRM5SIGMAR1
SCHEMBL30493846 0.72 SIGMAR1 (0.50) CA1CA2CA4CA9SIGMAR1
SCHEMBL4082381 0.72 MMP1 (0.42) MMP13MMP9
SCHEMBL27672018 0.71 SLC6A2 (0.48) MMP13MMP2MMP9MMP8SIGMAR1
SCHEMBL6673838 0.70 SIGMAR1 (0.54) CA1CA2CA4CA9SIGMAR1
SCHEMBL5635279 0.69 HTT (0.54) CA1CA2CA4CA9

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 25 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-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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-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 (6 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 MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885

“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.