SCHEMBL22951268

SCHEMBL22951268

Cn1nc(-c2cnns2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RUNX1 Q01196 2/20 0.33
▸ CBFB Q13951 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTGES2 Q9H7Z7 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
SCHEMBL21233171 0.78 ALDH1A1 (0.36) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22951269 0.78 — —
SCHEMBL22952761 0.75 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1PTGES2
SCHEMBL22952759 0.74 TBXAS1 (0.38) ALDH1A1GAAL3MBTL1PTGES2
SCHEMBL22958203 0.73 ALDH1A1 (0.45) ALDH1A1GAAMAPTGFERL3MBTL1
SCHEMBL14008902 0.71 KDM4E (0.49) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22952415 0.70 KMT2A (0.37) ALDH1A1GAAHPGD
SCHEMBL22952404 0.68 PHGDH (0.34) MAPT
SCHEMBL22951274 0.68 — —
SCHEMBL22951397 0.68 LATS1 (0.37) ALDH1A1MAPT

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 ALDH1A1 983/4885GAA 4531/4885MAPT 4751/4885

“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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