SCHEMBL22951397

SCHEMBL22951397

Cn1nc(-c2ccnnc2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.37
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KIF11 P52732 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL21408757 0.86 ALDH1A1 (0.45) LATS1MAPTNPSR1ALDH1A1
SCHEMBL12245379 0.76 MAPT (0.48) MAPTXBP1NPSR1
SCHEMBL22322303 0.75 HRH3 (0.46) ALDH1A1
SCHEMBL22952404 0.75 PHGDH (0.34) MAPTXBP1NPSR1
SCHEMBL12859412 0.75 MAPT (0.44) HDAC1HDAC6MAPTNPSR1ALDH1A1
SCHEMBL21233325 0.74 PHGDH (0.35) LATS1PDE10A
SCHEMBL21233185 0.74 HRH4 (0.40) —
SCHEMBL22951274 0.74 — —
SCHEMBL14008869 0.73 MAPT (0.45) MAPTNPSR1ALDH1A1
SCHEMBL22951271 0.72 BRAF (0.33) MAPTXBP1NPSR1ALDH1A1

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 LATS1 4295/4885HDAC1 682/4885HDAC6 206/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 LATS1 3996/4885HDAC1 1021/4885HDAC6 2265/4885

“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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