SCHEMBL6552971

SCHEMBL6552971

[O-][n+]1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.55
BACE1 P56817 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
S1PR1 P21453 1/20 0.42
GLO1 Q04760 1/20 0.39
AGXT P21549 1/20 0.38

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
SCHEMBL12632146 0.81 KIF11 (0.44) KIF11
SCHEMBL9716225 0.79 MEN1 (0.48) GPR84
SCHEMBL133385 0.78 S1PR1 (0.60) KIF11S1PR1
SCHEMBL29689517 0.78 GPR84 (0.47) KIF11GPR84S1PR1
SCHEMBL909285 0.78 GPR84 (0.47) KIF11GPR84S1PR1
SCHEMBL1585710 0.78 L3MBTL1 (0.50) GPR84
SCHEMBL10845214 0.75 NOTUM (0.50) KIF11
SCHEMBL163728 0.73 KIF11 (1.00) KIF11BACE1GLO1AGXT
SCHEMBL29914837 0.72 KIF11 (0.78) KIF11
SCHEMBL197238 0.72 KIF11 (0.78) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186104-A1 Novel pyridinone and related heterocyclic derivatives ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1387829-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002090333-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO 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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives CBR1, CBR3, CHRM1 KIF11 4153/4885BACE1 3166/4885GPR84 1746/4885

“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.