SCHEMBL4596362

SCHEMBL4596362

O=C1CSc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.61
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
MAOB P27338 9/20 0.53
MAOA P21397 8/20 0.53
EPHX2 P34913 1/20 0.53
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
TDP2 O95551 1/20 0.49
HTT P42858 1/20 0.41

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
SCHEMBL6754956 0.89 KIF11 (0.68) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL4888650 0.87 KIF11 (0.67) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL4596143 0.86 KIF11 (0.66) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL1878456 0.84 CYP11B1 (0.62) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL4596638 0.83 CYP11B1 (0.47) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL4898364 0.82 CYP11B1 (0.52) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL4896686 0.81 CYP11B1 (0.51) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL10651353 0.80 KIF11 (0.58) KIF11MAOBMAOAEPHX2TDP2
SCHEMBL25904133 0.80 CYP11B1 (0.59) CYP11B1CYP11B2MAOBMAOAEPHX2
SCHEMBL4596516 0.80 KIF11 (0.70) KIF11CYP11B1CYP11B2PDE3BPDE3A

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 5 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
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 562/4885CYP11B1 780/4885CYP11B2 1046/4885

“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.