SCHEMBL13326519

SCHEMBL13326519

c1csc(NCC2CCNC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.47
▸ SCN9A Q15858 7/20 0.47
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GRIN2B Q13224 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ ATAD2 Q6PL18 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ RPS6KB1 P23443 2/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL12806994 0.91 GRIN2B (0.46) CYP3A4SCN9ACHRM2CHRM1CHRM3
SCHEMBL12806985 0.79 CYP3A4 (0.54) CYP3A4SCN9ACHRM2CHRM1CHRM3
SCHEMBL13493665 0.75 GRIN2B (0.46) CYP3A4SCN9AGRIN2BEPHX2KDM1A
SCHEMBL30259650 0.74 KDM1A (0.46) CHRM2CHRM1CHRM3GRIN2BBRD4
SCHEMBL13326604 0.74 CHRM2 (0.44) CHRM2CHRM1CHRM3BRD4ATAD2
SCHEMBL13326607 0.74 CHRM2 (0.44) CHRM2CHRM1CHRM3BRD4ATAD2
SCHEMBL974801 0.74 CHRM2 (0.44) CHRM2CHRM1CHRM3BRD4ATAD2
SCHEMBL10073889 0.73 GRIN2B (0.37) CYP3A4SCN9ACHRM2CHRM1CHRM3
SCHEMBL13326502 0.71 CDK4 (0.44) CYP3A4CHRM2CHRM1CHRM3GRIN2B
SCHEMBL14167128 0.69 POLB (0.49) CYP3A4SCN9AEPHX2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 — — US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 — — US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 — — US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 — — 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 (1 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR CYP3A4 1593/4885SCN9A 3477/4885CHRM2 42/4885

“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.

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