SCHEMBL22967629

SCHEMBL22967629

CC(C)(C)Nc1ccc(OCc2cccc(C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.53
▸ FFAR4 Q5NUL3 1/20 0.53
▸ MAOB P27338 5/20 0.51
▸ MAOA P21397 2/20 0.48
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ GRM5 P41594 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ SPHK2 Q9NRA0 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ AR P10275 1/20 0.43

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
SCHEMBL21340514 0.85 FFAR1 (0.56) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL22874522 0.83 FFAR1 (0.52) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL13439790 0.82 FFAR1 (0.56) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL14163905 0.81 FFAR1 (0.63) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL22874577 0.81 MAOB (0.60) MAOBMAOAGRM5
SCHEMBL22874541 0.81 MAOB (0.62) FFAR1MAOBMRGPRX4
SCHEMBL22967634 0.81 MAOB (0.60) FFAR1MAOBMAOA
SCHEMBL8549374 0.80 FFAR1 (0.60) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL13232461 0.80 GRM5 (0.62) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL12347496 0.79 AR (0.60) MAOBMAOAAR

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-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-10 — — US disclosed
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2021-02-11 — — 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 (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-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof WNK1, WNK2, WNK3 FFAR1 2323/4885FFAR4 2545/4885MAOB 975/4885
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF WNK1, WNK2, WNK3 FFAR1 2323/4885FFAR4 2545/4885MAOB 975/4885

“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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