SCHEMBL13967978

SCHEMBL13967978

OCC(O)c1nc2ccccc2nc1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.56
▸ MAPK14 Q16539 7/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ ADORA2A P29274 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ PDE10A Q9Y233 1/20 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
SCHEMBL13836819 0.87 KMT2A (0.49) SCN9AMEN1KMT2ADHODHPDE10A
SCHEMBL13837207 0.84 ADORA2A (0.45) SCN9AADORA2APDE10A
SCHEMBL13837206 0.82 MBNL1 (0.44) SCN9AMAPK10ADORA2AMEN1KMT2A
SCHEMBL13967979 0.79 RAB9A (0.47) MEN1KMT2A
SCHEMBL8008310 0.78 MAPK14 (0.57) MAPK14MAPK10ADORA2AMEN1KMT2A
SCHEMBL71619 0.76 MAPK14 (0.81) MAPK14MAPK10ADORA2AMEN1KMT2A
SCHEMBL29405271 0.76 MAPK14 (0.81) MAPK14MAPK10ADORA2AMEN1KMT2A
SCHEMBL29596631 0.74 MAPK14 (0.78) MAPK14MAPK10ADORA2AMEN1KMT2A
SCHEMBL28252524 0.74 MAPK14 (0.78) MAPK14MAPK10ADORA2AMEN1KMT2A
SCHEMBL29767839 0.74 MAPK14 (0.78) MAPK14MAPK10ADORA2AMEN1KMT2A

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-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-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
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 SCN9A 4688/4885MAPK14 490/4885MAPK10 497/4885

“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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