SCHEMBL22286228

SCHEMBL22286228

CCOC(=O)c1c(C(F)(F)F)nn(CC)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 5/20 0.46
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
PLAT P00750 1/20 0.43
HPGD P15428 6/20 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
SCHEMBL20551865 0.87 MAPK1 (0.43) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL20551457 0.84 MAPK1 (0.41) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL4625129 0.84 KDM4E (0.47) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL4933046 0.83 TSHR (0.46) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL20551143 0.82 KDM4E (0.38) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL20550919 0.81 ALDH1A1 (0.52) MAPK1KDM4EPLATHPGDSMN1; SMN2
SCHEMBL18704090 0.80 MAPK1 (0.66) MAPK1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL20551466 0.80 LMNA (0.47) MAPK1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL9544291 0.80 PLAT (0.39) MAPK1KDM4EGABRPGABRDGABRA1
SCHEMBL20551901 0.79 PLAT (0.47) MAPK1KDM4EGABRPGABRDGABRA1

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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 MAPK1 943/4885KDM4E 4117/4885GABRP 1038/4885

“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.