SCHEMBL10073889

SCHEMBL10073889

c1csc(NCC2CCC3CNCCN32)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.37
▸ HTR2A P28223 6/20 0.35
▸ HTR2C P28335 6/20 0.35
▸ HTR2B P41595 6/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL13532890 0.79 GRIN2B (0.40) GRIN2BCYP3A4SCN9AALDH1A1MAPT
SCHEMBL13326519 0.73 CYP3A4 (0.47) GRIN2BCHRM2CHRM1CHRM3CYP3A4
SCHEMBL12806994 0.70 GRIN2B (0.46) GRIN2BCHRM2CHRM1CHRM3CYP3A4
SCHEMBL4573023 0.67 CHRM2 (0.37) HTR2AHTR2CHTR2BCHRM2CHRM1
Bromide SCHEMBL4573068 0.66 CHRM2 (0.36) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL13534528 0.65 IRAK4 (0.32) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL13532907 0.65 IRAK4 (0.32) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL22644735 0.64 HTR6 (0.37) HTR2C
SCHEMBL4662664 0.64 HTR6 (0.37) HTR2C
SCHEMBL27088521 0.64 HTR6 (0.37) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310395-B1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2012-01-18 — — EP disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — WO disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — US disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — 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-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL GRIN2B 2552/4885HTR2A 4321/4885HTR2C 3559/4885

“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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