SCHEMBL4897417

SCHEMBL4897417

NC(=O)CN1CCC(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.53
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP2 O95551 1/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.36
AKT1 P31749 1/20 0.35
GAA P10253 1/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL4596875 0.90 KIF11 (0.50) KIF11SMN1; SMN2TDP2KMT2APARP1
SCHEMBL4596573 0.80 KIF11 (0.51) KIF11SMN1; SMN2TDP2KMT2APARP1
SCHEMBL14154358 0.76 KIF11 (0.47) KIF11SMN1; SMN2TDP2KMT2APARP1
SCHEMBL4898332 0.75 KIF11 (0.51) KIF11HRH3SMN1; SMN2TDP2KMT2A
SCHEMBL4595034 0.73 KIF11 (0.51) KIF11HRH3TDP2KMT2AGAA
SCHEMBL1396616 0.70 KIF11 (1.00) KIF11SMN1; SMN2TDP2AKT1
SCHEMBL4888947 0.70 CYP11B1 (0.58) KIF11TDP2BRD4KMT2AGAA
SCHEMBL3315684 0.69 HDAC6 (0.44) KIF11HRH3TDP2SCN9A
SCHEMBL4888856 0.69 KIF11 (0.54) KIF11TDP2KMT2AGAA
SCHEMBL3307653 0.68 KIF11 (0.78) KIF11TDP2AKT1

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 KIF11 562/4885HRH3 4076/4885SMN1; SMN2 2221/4885

“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.