SCHEMBL4596372

SCHEMBL4596372

O=C1CCc2cc(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.62
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP1A2 P05177 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
CYP2C9 P11712 2/20 0.46
TBXAS1 P24557 1/20 0.46
PGR P06401 1/20 0.45
ULK1 O75385 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
MMP12 P39900 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 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
SCHEMBL30806668 0.82 KIF11 (0.46) KIF11CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL4621040 0.81 KIF11 (0.52) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3310186 0.81 KIF11 (0.70) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4595991 0.80 CYP11B1 (0.56) KIF11CYP11B1CYP11B2
SCHEMBL4888989 0.80 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4890959 0.80 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4897946 0.78 PGR (0.63) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL1396616 0.77 KIF11 (1.00) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3312695 0.77 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4889044 0.77 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B

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 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.