SCHEMBL4898332

SCHEMBL4898332

O=C1CN(CCO)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.51
TDP2 O95551 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GLO1 Q04760 1/20 0.36
PARP1 P09874 1/20 0.36
GRM2 Q14416 1/20 0.35
GAA P10253 1/20 0.35
SCN9A Q15858 1/20 0.35
EPHX2 P34913 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL4596573 0.86 KIF11 (0.51) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL4596875 0.85 KIF11 (0.50) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL4595034 0.83 KIF11 (0.51) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL14154358 0.82 KIF11 (0.47) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL4888947 0.81 CYP11B1 (0.58) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL4900123 0.80 KIF11 (0.55) KIF11TDP2HRH3ADAM17TRPV1
SCHEMBL4888856 0.77 KIF11 (0.54) KIF11TDP2CYP11B1CYP11B2KMT2A
SCHEMBL4897417 0.75 KIF11 (0.53) KIF11TDP2KMT2AHRH3PARP1
SCHEMBL24359477 0.70 CYP11B1 (0.67) TDP2CYP11B1CYP11B2
SCHEMBL14480616 0.70 EPHX2 (0.48) KIF11TDP2HRH3GLO1EPHX2

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 3 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

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 1033/4885CYP11B1 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.