SCHEMBL22952446

SCHEMBL22952446

Cn1nc(-c2cocn2)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL21233193 0.77 ALDH1A1 (0.34) HDAC6ALDH1A1
SCHEMBL22952789 0.73 KDM4E (0.30) —
SCHEMBL22952438 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22952454 0.72 KMO (0.33) HDAC1HDAC6
SCHEMBL22951410 0.71 CHRM1 (0.37) HDAC1HDAC6ALDH1A1
SCHEMBL22951272 0.71 — —
SCHEMBL21233324 0.70 F2 (0.33) HDAC1HDAC6
SCHEMBL22951394 0.70 PIM1 (0.35) ALDH1A1
SCHEMBL22952453 0.70 TDP2 (0.36) ALDH1A1
SCHEMBL22388750 0.68 SCN9A (0.37) SCN9A

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-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 (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-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 HDAC1 1021/4885HDAC6 2265/4885SCN9A 1783/4885

“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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