SCHEMBL13837207

SCHEMBL13837207

OCC(O)c1nc2ccccc2nc1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.45
▸ SCN9A Q15858 1/20 0.42
▸ TACR3 P29371 9/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL13967978 0.84 SCN9A (0.56) ADORA2ASCN9APDE10A
SCHEMBL13836819 0.84 KMT2A (0.49) SCN9APDE10A
SCHEMBL13837206 0.78 MBNL1 (0.44) ADORA2ASCN9ATACR3PIK3R1PIK3CA
SCHEMBL28276494 0.78 ADORA2A (0.60) ADORA2ADPP4ADORA2BADORA1
SCHEMBL13837048 0.78 MAPT (0.51) ABCG2
SCHEMBL1989452 0.71 BCHE (0.46) ADORA2ATACR3PTGDR2
SCHEMBL4167700 0.71 ADORA2A (0.39) ADORA2ATACR3ADORA1
SCHEMBL13967979 0.70 RAB9A (0.47) —
SCHEMBL13836924 0.70 MEN1 (0.62) ADORA2APIK3R1PIK3CA
SCHEMBL2015255 0.69 BCHE (0.44) ADORA2APTGDR2ADORA2BADORA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952192-B2 Phosphorylated and branched dihydroxy-pentane-dione (DPD) analogs as quorum sensing inhibitors in bacteria UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2015-02-10 — — US disclosed
US-20120294900-A1 Phosphorylated and Branched Dihydroxy-Pentane-Dione (DPD) Analogs as Quorum Sensing Inhibitors in Bacteria UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-11-22 — — 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-20120294900-A1 Phosphorylated and Branched Dihydroxy-Pentane-Dione (DPD) Analogs as Quorum Sensing Inhibitors in Bacteria PGD, DUSP2, PGLS ADORA2A 383/4885SCN9A 4688/4885TACR3 2057/4885

“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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