SCHEMBL2104835

SCHEMBL2104835

N#Cc1ccc2c(c1)COC=N2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
PNMT P11086 6/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM1A O60341 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
PRF1 P14222 1/20 0.31
MAPK10 P53779 2/20 0.31
RIPK1 Q13546 2/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL11017385 0.73 TRPA1 (0.44) TRPA1PNMTDRD2DRD3NOS3
SCHEMBL28039609 0.70 PNMT (0.42) TRPA1PNMTDRD2DRD3NOS3
Water SCHEMBL28095232 0.69 PNMT (0.49) TRPA1PNMTDRD2DRD3NOS3
SCHEMBL21391039 0.67 TRPA1 (0.39) TRPA1PNMTDRD2DRD3NOS3
SCHEMBL6739755 0.66
SCHEMBL2809825 0.66 PNMT (0.48) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL31545183 0.66 PNMT (0.48) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL11908201 0.66 PNMT (0.41) TRPA1PNMTDRD2DRD3NOS3
SCHEMBL7647780 0.66 PNMT (0.44) TRPA1PNMTDRD2DRD3NOS3
Bromide SCHEMBL17202846 0.65 PNMT (0.52) TRPA1PNMTDRD2DRD3KDM1A

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
CN-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 CN disclosed
US-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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 (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-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 TRPA1 850/4885PNMT 429/4885DRD2 71/4885

“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.