SCHEMBL25007440

SCHEMBL25007440

CC(C)(C)Sc1c(F)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
HSD11B1 P28845 2/20 0.36
SLC22A12 Q96S37 3/20 0.36
P2RX7 Q99572 1/20 0.33
KAT6A Q92794 1/20 0.31
TRPA1 O75762 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MPL P40238 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGS2 P35354 1/20 0.31
CA2 P00918 1/20 0.30
PARP1 P09874 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL10974107 0.84 HSD11B1 (0.35) ARHSD11B1SLC22A12P2RX7TRPA1
SCHEMBL13494352 0.83 ACHE (0.35) SLC6A4
SCHEMBL1231755 0.80 HSD11B1 (0.38) HSD11B1SLC22A12P2RX7TRPA1SLC6A2
SCHEMBL28918923 0.79 HSD11B1 (0.37) ARHSD11B1SLC22A12P2RX7TRPA1
SCHEMBL23284009 0.76 NOS3 (0.37) ARHSD11B1SLC22A12P2RX7TRPA1
SCHEMBL6681359 0.73 AR (0.41) ARHSD11B1SLC22A12SLC6A2SLC6A4
SCHEMBL28995326 0.72 AR (0.38) ARHSD11B1SLC22A12TRPA1PTGS2
SCHEMBL19860980 0.70 CA2 (0.48) SLC6A4CA2
SCHEMBL21376359 0.70 PARP1 (0.39) ARHSD11B1P2RX7IDO1CA2
SCHEMBL13855724 0.69 AR (0.40) ARHSD11B1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 AR 1011/4885HSD11B1 1072/4885SLC22A12 1081/4885

“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.