SCHEMBL13532890

SCHEMBL13532890

CN1CCN2C(CNc3nccs3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.40
▸ SCN9A Q15858 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EPHX2 P34913 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTT P42858 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
SCHEMBL10073889 0.79 GRIN2B (0.37) GRIN2BSCN9AMAPTEPHX2CYP3A4
SCHEMBL31147202 0.72 IRAK4 (0.40) GRIN2BSCN9AMAPTEPHX2CYP3A4
SCHEMBL13493665 0.68 GRIN2B (0.46) GRIN2BSCN9AMAPTEPHX2CYP3A4
SCHEMBL13532884 0.68 L3MBTL3 (0.37) SCN9AMAPTEPHX2ALDH1A1HTT
SCHEMBL13991667 0.66 NCF1 (0.30) —
SCHEMBL12806994 0.65 GRIN2B (0.46) GRIN2BSCN9AEPHX2CYP3A4POLB
SCHEMBL31084647 0.65 MAPT (0.45) MAPTALDH1A1
SCHEMBL13532887 0.65 LMNA (0.30) —
SCHEMBL3897364 0.65 GRIN2B (0.67) GRIN2BMAPTEPHX2ALDH1A1POLB
SCHEMBL13326519 0.63 CYP3A4 (0.47) GRIN2BSCN9AEPHX2CYP3A4POLB

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-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
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 2552/4885SCN9A 1314/4885MAPT 4726/4885

“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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