SCHEMBL4596659

SCHEMBL4596659

O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)cc([N+](=O)[O-])c2N1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.61
CYP11B2 P19099 5/20 0.61
KIF11 P52732 8/20 0.56
TDP2 O95551 2/20 0.46
HPD P32754 2/20 0.39
CYP19A1 P11511 3/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 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
SCHEMBL4595991 0.86 CYP11B1 (0.56) CYP11B1CYP11B2KIF11TDP2CYP19A1
SCHEMBL1879510 0.85 CYP11B2 (0.64) CYP11B1CYP11B2KIF11HPDCYP19A1
SCHEMBL4893178 0.80 KIF11 (0.63) CYP11B1CYP11B2KIF11TDP2CYP19A1
SCHEMBL4899215 0.79 KIF11 (0.62) CYP11B1CYP11B2KIF11TDP2CYP19A1
SCHEMBL4595622 0.79 KIF11 (0.62) CYP11B1CYP11B2KIF11TDP2CYP19A1
SCHEMBL1885394 0.77 CYP11B2 (0.74) CYP11B1CYP11B2KIF11CYP19A1MAPT
SCHEMBL4901115 0.76 KIF11 (0.58) CYP11B1CYP11B2KIF11TDP2CYP19A1
SCHEMBL1762378 0.76 CYP11B1 (1.00) CYP11B1CYP11B2TDP2CYP19A1CYP1A2
SCHEMBL1878503 0.76 CYP11B2 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL22868312 0.76 CYP11B1 (0.54) CYP11B1CYP11B2KIF11CYP19A1MAPT

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
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 CYP11B1 780/4885CYP11B2 1046/4885KIF11 562/4885

“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.