SCHEMBL7854069

SCHEMBL7854069

C=CCOc1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA9 Q16790 6/20 0.52
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MAOA P21397 1/20 0.45
GAA P10253 2/20 0.44
DRD2 P14416 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7854620 0.89 CA12 (0.54) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL18264052 0.85 ACHE (0.46) ACHEMAOBADRA2AADRA2BADRA2C
SCHEMBL30524203 0.81 DRD2 (0.48) CA12CA1CA9ACHEMAOB
SCHEMBL19732216 0.80 DRD2 (0.57) ACHEMAOBADRA2AADRA2BADRA2C
SCHEMBL30712216 0.80 DRD2 (0.57) ACHEMAOBADRA2AADRA2BADRA2C
SCHEMBL27947017 0.79 ACHE (0.51) CA12CA1CA9ACHEMAOB
SCHEMBL3825460 0.77 CA12 (0.64) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL6586939 0.76 DRD2 (0.49) ACHEMAOBKDM4EDRD2ALDH1A1
SCHEMBL1039407 0.76 DRD2 (0.52) ACHEMAOBDRD2DRD4DRD3
SCHEMBL17842570 0.76 ACHE (0.49) ACHEMAOBSMN1; SMN2ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-21 US disclosed
EP-3413976-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2016189304-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2016-12-01 WO disclosed
WO-2016189304-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2016-12-01 WO disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO 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-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS OXA1L, OGFOD1, OCIAD2 CA12 4343/4885CA1 4697/4885CA9 3081/4885

“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.