SCHEMBL4897946

SCHEMBL4897946

O=C1CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.63
KIF11 P52732 2/20 0.61
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 3/20 0.53
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
TBXAS1 P24557 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP2 O95551 3/20 0.47
NPC1 O15118 2/20 0.47
MMP12 P39900 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL516986 0.88 KIF11 (0.67) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL28956487 0.82 KIF11 (0.55) PGRKIF11CYP1A2SIRT2MAPT
SCHEMBL4621040 0.81 KIF11 (0.52) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL3306566 0.80 KIF11 (0.69) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL2061739 0.79 KIF11 (0.56) PGRKIF11CYP2C9SIRT2MAPT
SCHEMBL3312587 0.78 KIF11 (0.72) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL14865934 0.78 KIF11 (0.68) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL4596554 0.78 KIF11 (0.68) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL4594845 0.78 KIF11 (0.68) PGRKIF11CYP11B1CYP11B2PDE3B
SCHEMBL3307966 0.78 KIF11 (0.68) PGRKIF11CYP11B1CYP11B2PDE3B

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 2 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

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 PGR 592/4885KIF11 562/4885CYP11B1 780/4885

“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.