SCHEMBL25007733

SCHEMBL25007733

CC(C)(C)OCNc1ccn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SOD1 P00441 1/20 0.32
CTSK P43235 1/20 0.32
HOGA1 Q86XE5 1/20 0.32
RIPK2 O43353 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
FFAR2 O15552 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL13180379 0.72
SCHEMBL13356973 0.69
SCHEMBL13045345 0.68 ESR1 (0.40) PKMCYP3A4CYP2C9SOD1CTSK
SCHEMBL11002894 0.67 PKM (0.41) PKMCYP3A4CYP2C9HDAC8HDAC6
SCHEMBL27669529 0.67 CYP3A4 (0.41) PKMCYP3A4CYP2C9CTSKKCNH2
SCHEMBL22957169 0.66
SCHEMBL14116753 0.66 PKM (0.50) PKMCTSKFFAR2
SCHEMBL4565097 0.66 GPR84 (0.44) PKMCYP3A4CYP2C9CTSKCYP1A2
SCHEMBL22074334 0.66 PKM (0.36) PKMCYP3A4CYP2C9HDAC8HDAC6
SCHEMBL1127845 0.66 CYP1A2 (0.43) PKMCYP3A4CYP2C9SOD1CTSK

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 PKM 3683/4885CYP3A4 9/4885CYP2C9 48/4885

“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.