SCHEMBL25005753

SCHEMBL25005753

CC(C)(C)C(=O)Oc1ccc2ccncc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
ELANE P08246 10/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
CA2 P00918 5/20 0.45
CYP3A4 P08684 1/20 0.43
IKBKB O14920 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
SCHEMBL9826855 0.83 CA12 (0.49) MRGPRX4CYP3A4IKBKB
SCHEMBL30339521 0.80 ELANE (0.58) ELANECA2
SCHEMBL12618375 0.80 ELANE (0.58) ELANECA2
SCHEMBL6586179 0.78 MRGPRX4 (0.47) MRGPRX4CYP3A4IKBKB
SCHEMBL9828031 0.78 CYP3A4 (0.50) ROCK2CYP3A4
SCHEMBL29181827 0.77 ROCK2 (0.42) ROCK2ELANECA2CYP3A4
SCHEMBL30048870 0.77 ROCK2 (0.42) ROCK2ELANECA2CYP3A4
SCHEMBL19400658 0.77 ELANE (0.59) ELANECA2
SCHEMBL10457815 0.76 ELANE (0.53) ELANECA2
SCHEMBL10457691 0.76 ELANE (0.56) ELANECA2

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 ROCK2 2537/4885ELANE 4842/4885MRGPRX4 2687/4885

“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.