SCHEMBL19212781

SCHEMBL19212781

N#Cc1ccc2ccc(=O)n(CCC=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
SCN7A Q01118 3/20 0.44
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KMO O15229 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CCR9 P51686 1/20 0.36
CDC7 O00311 1/20 0.36
BRD1 O95696 3/20 0.35
BRPF1 P55201 3/20 0.35
BRPF3 Q9ULD4 2/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35

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
SCHEMBL3353459 0.85 SCN7A (0.41) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL27759451 0.82 KCNH2 (0.47) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL19212693 0.79 KCNH2 (0.40) KCNH2CDC7BRD4
SCHEMBL4297734 0.78 KDM4E (0.41) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3409318 0.78 HDAC1 (0.40) KMOCCR9BRPF1BRD4BRD9
SCHEMBL4779522 0.76 SCN7A (0.58) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL19211607 0.76 KCNH2 (0.43) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3777387 0.75 SCN7A (0.48) KCNH2SCN7AKMOMAPK8MAPK9
SCHEMBL29456187 0.75 SCN7A (0.48) KCNH2SCN7AKMOMAPK8MAPK9
SCHEMBL19212650 0.75 SCN7A (0.48) KCNH2SCN7ASCN5ASCN2ASCN8A

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-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
CN-109121397-A Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound 莱德克斯制药公共有限公司 2019-01-01 CN 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

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 KCNH2 1227/4885SCN7A 2102/4885SCN5A 1292/4885

“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.