SCHEMBL4596573

SCHEMBL4596573

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.51
TDP2 O95551 1/20 0.41
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLO1 Q04760 1/20 0.38
EPHX2 P34913 1/20 0.38
PARP1 P09874 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SCN9A Q15858 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL4596875 0.89 KIF11 (0.50) KIF11TDP2KMT2AKDM4EMEN1
SCHEMBL14154358 0.86 KIF11 (0.47) KIF11TDP2KMT2AKDM4EMEN1
SCHEMBL4898332 0.86 KIF11 (0.51) KIF11TDP2KMT2AKDM4EMEN1
SCHEMBL4595034 0.83 KIF11 (0.51) KIF11TDP2KMT2AEPHX2CYP11B1
SCHEMBL4897417 0.80 KIF11 (0.53) KIF11TDP2KMT2ASMN1; SMN2PARP1
SCHEMBL4888947 0.79 CYP11B1 (0.58) KIF11TDP2KMT2AMEN1CYP11B1
SCHEMBL4888856 0.77 KIF11 (0.54) KIF11TDP2KMT2AGLO1CYP11B1
SCHEMBL14480616 0.73 EPHX2 (0.48) KIF11TDP2GLO1EPHX2
SCHEMBL4705905 0.72 EPHX2 (0.68) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL22364540 0.71 PARP1 (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A

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 disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885TDP2 1033/4885KMT2A 2023/4885

“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.