SCHEMBL403669

SCHEMBL403669

CCc1ccc(-c2ccc(C(=O)N3CCNCC3C(=O)NO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
ATM Q13315 1/20 0.42
SLC6A7 Q99884 1/20 0.41
MMP9 P14780 6/20 0.40
MMP13 P45452 6/20 0.40
MMP2 P08253 4/20 0.40
MMP8 P22894 4/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA9 Q16790 4/20 0.39
ADAM17 P78536 1/20 0.38

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 0.86 MMP9 (0.44) CCNCCDK8MMP9MMP13MMP2
SCHEMBL1105562 0.77 MMP2 (0.64) SLC6A7MMP9MMP13MMP2MMP8
SCHEMBL201643 0.77 MMP2 (0.64) SLC6A7MMP9MMP13MMP2MMP8
SCHEMBL404649 0.76 MMP13 (0.48) MMP9MMP13MMP2MMP8CA1
SCHEMBL2692903 0.74 MMP13 (0.43) CCNCCDK8SLC6A7MMP9MMP13
SCHEMBL202818 0.74 MMP13 (0.43) CCNCCDK8SLC6A7MMP9MMP13
SCHEMBL2693934 0.74 SLC6A7 (0.41) CCNCCDK8ATMSLC6A7MMP9
SCHEMBL8996790 0.71 OPRD1 (0.44) CA1CA2CA4CA9
SCHEMBL404675 0.69 MMP2 (0.44) MMP9MMP13MMP2MMP8
SCHEMBL10260239 0.69 SIGMAR1 (0.62) CCNCCDK8SLC6A7

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 CCNC 2771/4885CDK8 3298/4885ATM 4652/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CCNC 2771/4885CDK8 3298/4885ATM 4652/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CCNC 2771/4885CDK8 3298/4885ATM 4652/4885

“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.