SCHEMBL4596875

SCHEMBL4596875

NC(=O)CN1CC(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.50
PARP1 P09874 1/20 0.41
TDP2 O95551 1/20 0.41
SCN9A Q15858 3/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHODH Q02127 1/20 0.36
HTT P42858 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL4897417 0.90 KIF11 (0.53) KIF11PARP1TDP2SCN9AKMT2A
SCHEMBL4596573 0.89 KIF11 (0.51) KIF11PARP1TDP2SCN9AKMT2A
SCHEMBL14154358 0.85 KIF11 (0.47) KIF11PARP1TDP2SCN9AKMT2A
SCHEMBL4898332 0.85 KIF11 (0.51) KIF11PARP1TDP2SCN9AKMT2A
SCHEMBL4595034 0.82 KIF11 (0.51) KIF11TDP2SCN9AKMT2ACYP11B1
SCHEMBL4888947 0.78 CYP11B1 (0.58) KIF11TDP2KMT2AMEN1CYP11B1
SCHEMBL4888856 0.76 KIF11 (0.54) KIF11TDP2KMT2ACYP11B1CYP11B2
SCHEMBL14480616 0.70 EPHX2 (0.48) KIF11TDP2
SCHEMBL3315684 0.69 HDAC6 (0.44) KIF11TDP2SCN9ACYP11B1CYP11B2
SCHEMBL1903306 0.69 KIF11 (0.80) KIF11TDP2CYP11B1CYP11B2

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 4 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
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
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 562/4885PARP1 793/4885TDP2 1033/4885

“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.