SCHEMBL3219489

SCHEMBL3219489

OCC1COc2cc(F)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALPL P05186 2/20 0.36
CA2 P00918 1/20 0.35
AKR1B1 P15121 1/20 0.34
NR3C2 P08235 5/20 0.34
NR3C1 P04150 3/20 0.34
PGR P06401 2/20 0.34
LTA4H P09960 2/20 0.33
DAO P14920 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP19A1 P11511 2/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL24776144 1.00 GAA (0.37) GAAALPLCA2AKR1B1NR3C2
SCHEMBL24776758 0.88 NR3C2 (0.39) GAACA2AKR1B1NR3C2NR3C1
SCHEMBL24776143 0.84 GAA (0.37) GAACA2AKR1B1LTA4HDAO
SCHEMBL24776225 0.84 GAA (0.37) GAACA2AKR1B1LTA4HDAO
SCHEMBL17363926 0.82 AKR1B1 (0.41) GAACA2AKR1B1NR3C2NR3C1
SCHEMBL17363798 0.82 AKR1B1 (0.41) GAACA2AKR1B1NR3C2NR3C1
SCHEMBL17363916 0.82 AKR1B1 (0.41) GAACA2AKR1B1NR3C2NR3C1
SCHEMBL3591700 0.81 GAA (0.37) GAACREBBPMAPT
SCHEMBL3587070 0.81 GAA (0.37) GAACREBBPMAPT
SCHEMBL13544000 0.81 GAA (0.37) GAACREBBPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262736-A1 BENZOXAZINONE DERIVATIVES 正大天晴药业集团股份有限公司 2022-12-22 WO disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R GAA 3565/4885ALPL 2044/4885CA2 3005/4885

“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.