SCHEMBL4893178

SCHEMBL4893178

O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)cc(F)c2N1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.63
TDP2 O95551 2/20 0.51
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 3/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4595128 0.86 KIF11 (0.50) KIF11TDP2GRIA1CACNG8CYP11B1
SCHEMBL4899215 0.84 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4595622 0.84 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4901115 0.81 KIF11 (0.58) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4596659 0.80 CYP11B1 (0.61) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4596868 0.80 KIF11 (0.65) KIF11TDP2CYP11B1CYP11B2CYP1A2
SCHEMBL4596603 0.79 KIF11 (0.55) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL1396616 0.78 KIF11 (1.00) KIF11TDP2CYP11B1CYP11B2CYP1A2
SCHEMBL4893622 0.77 KIF11 (0.47) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4890704 0.75 KIF11 (0.41) KIF11TDP2GRIA1CACNG8

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885TDP2 1033/4885GRIA1 4289/4885

“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.