SCHEMBL4896533

SCHEMBL4896533

O=C1CCCc2cc(-c3cccc(F)c3C(F)(F)F)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.51
TRPA1 O75762 1/20 0.46
MAPT P10636 1/20 0.43
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTK2B Q14289 1/20 0.41
GSK3B P49841 1/20 0.40
PGR P06401 2/20 0.40
CYP1A2 P05177 1/20 0.40
TBXAS1 P24557 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 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
SCHEMBL4899966 0.93 KIF11 (0.60) KIF11TRPA1MAPTGRIA1CACNG8
SCHEMBL4596463 0.78 KIF11 (0.59) KIF11MAPTCYP2C9CYP11B1CYP11B2
SCHEMBL4898200 0.77 KIF11 (0.50) KIF11TRPA1CYP11B1CYP11B2PGR
SCHEMBL3315843 0.77 PARP1 (0.58) KIF11MAPTGRIA1CACNG8CYP2C9
SCHEMBL4888035 0.76 KIF11 (0.86) KIF11MAPTCYP2C9CYP11B1CYP11B2
SCHEMBL4897861 0.76 KIF11 (0.72) KIF11MAPTCYP2C9CYP11B1CYP11B2
SCHEMBL18189484 0.73 GRIA1 (0.60) KIF11GRIA1CACNG8CYP11B1CYP11B2
SCHEMBL4888861 0.73 KIF11 (0.86) KIF11CYP2C9CYP11B1CYP11B2GSK3B
SCHEMBL14868062 0.73 KIF11 (0.71) KIF11CYP2C9CYP11B1CYP11B2CYP2D6
SCHEMBL9024780 0.72 KIF11 (0.67) KIF11MAPTPKM

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-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 562/4885TRPA1 4832/4885MAPT 2954/4885

“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.