SCHEMBL22955828

SCHEMBL22955828

CCCCC(C)(CC)C(=O)c1ccno1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ GAA P10253 4/20 0.33
▸ GFER P55789 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ AR P10275 1/20 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
SCHEMBL25007564 0.71 HCAR2 (0.42) CYP1A2CYP2C9CYP2C19CYP2D6TDP1
SCHEMBL10072426 0.68 — —
SCHEMBL10245958 0.68 KEAP1 (0.60) KMT2AKEAP1NFE2L2GAAGFER
SCHEMBL13416260 0.68 TSHR (0.51) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL19334107 0.65 AR (0.31) AR
SCHEMBL19388576 0.65 HRH3 (0.39) CYP1A2CYP19A1CYP2D6
SCHEMBL19388602 0.65 KDM4E (0.44) KMT2ACYP1A2CYP2C9CYP2C19GAA
SCHEMBL12928352 0.65 GRM5 (0.42) KMT2AGAAGFERMEN1ALDH1A1
SCHEMBL19918751 0.64 L3MBTL1 (0.38) ALDH1A1LMNA
SCHEMBL19918747 0.64 GAA (0.39) KMT2ACYP1A2CYP2C9CYP2C19GAA

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-20210032229-A1 PYRIDINE 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 (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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 KMT2A 1629/4885CHRNA4 319/4885CHRNB2 209/4885

“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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