SCHEMBL22952685

SCHEMBL22952685

CC(C)=NNc1cc(C(C)(C)C)n(C)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GRN P28799 1/20 0.30
▸ SORT1 Q99523 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
SCHEMBL22952684 0.80 — —
SCHEMBL21233055 0.77 ALDH1A1 (0.46) KDM4E
SCHEMBL22951235 0.75 L3MBTL1 (0.43) KDM4EGRNSORT1
SCHEMBL22951260 0.74 ALOX15 (0.33) KDM4EGRNSORT1
SCHEMBL22952413 0.70 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL22951356 0.69 SMN1; SMN2 (0.49) KDM4EGRNSORT1
SCHEMBL21233053 0.67 PKM (0.37) KDM4EGRNSORT1
SCHEMBL21232980 0.67 MAPT (0.31) —
SCHEMBL14616633 0.66 KDM4E (0.37) CNR1CNR2KDM4EGRNSORT1
SCHEMBL17324764 0.65 ALDH1A1 (0.42) CNR1CNR2KDM4EGRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 — — US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — 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 (2 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 CNR1 1963/4885CNR2 1446/4885KDM4E 1065/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CNR1 203/4885CNR2 265/4885KDM4E 2316/4885

“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.

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