SCHEMBL13326604

SCHEMBL13326604

c1csc(N[C@H]2CCNC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ PRKCI P41743 11/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ ATAD2 Q6PL18 2/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 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
SCHEMBL13326607 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3PRKCIMEN1
SCHEMBL974801 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3PRKCIMEN1
SCHEMBL4704528 0.91 HRH3 (0.44) CHRM2CHRM1CHRM3PRKCIMEN1
SCHEMBL28198370 0.81 — —
SCHEMBL12574025 0.78 MEN1 (0.57) MEN1TSHRKMT2A
SCHEMBL5112007 0.77 TSHR (0.59) MEN1TSHRKMT2A
SCHEMBL13326564 0.75 HRH4 (0.41) PRKCIBRD4ATAD2HRH4HRH3
SCHEMBL13326560 0.75 CYP1A2 (0.39) PRKCITSHRHRH4HRH3HRH2
SCHEMBL13326519 0.74 CYP3A4 (0.47) CHRM2CHRM1CHRM3PRKCIBRD4
SCHEMBL12120470 0.74 CHRM2 (0.54) CHRM2CHRM1CHRM3PRKCIHRH4

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 CHRM2 42/4885CHRM1 26/4885CHRM3 29/4885

“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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