SCHEMBL1332897

SCHEMBL1332897

O=C1COc2cnc(Br)nc2N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.42
MMP12 P39900 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 1/20 0.33
KCNH2 Q12809 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 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
SCHEMBL19629973 0.80 NR3C2 (0.42) NR3C2MMP12CYP11B1CYP11B2NR3C1
SCHEMBL1333452 0.80 NR3C2 (0.42) NR3C2MMP12CYP11B1CYP11B2NR3C1
SCHEMBL13089619 0.80 NR3C2 (0.45) NR3C2MMP12CYP11B1CYP11B2NR3C1
SCHEMBL1378747 0.78 NR3C2 (0.41) NR3C2MMP12CYP11B1CYP11B2NR3C1
SCHEMBL20754037 0.78 NR3C2 (0.43) NR3C2MMP12NR3C1ALDH1A1MAPT
SCHEMBL22210583 0.76 NR3C2 (0.42) NR3C2MMP12CYP11B1CYP11B2NR3C1
SCHEMBL13425021 0.76 NR3C2 (0.45) NR3C2MMP12NR3C1ALDH1A1MAPT
SCHEMBL592791 0.75 NR3C2 (0.47) NR3C2MMP12NR3C1ALDH1A1MAPT
SCHEMBL859012 0.73 MMP12 (0.38) NR3C2MMP12CYP11B1CYP11B2ALDH1A1
SCHEMBL16460174 0.73 MMP12 (0.38) NR3C2MMP12CYP11B1CYP11B2NR3C1

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
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
EP-2569310-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Inc (US) 2013-03-20 EP disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 US disclosed
WO-2011141848-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER INC. (US) 2011-11-17 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 (2 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 NR3C2 3/4885MMP12 761/4885CYP11B1 18/4885
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 NR3C2 1535/4885MMP12 2204/4885CYP11B1 916/4885

“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.