SCHEMBL4594845

SCHEMBL4594845

Nc1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.68
CA9 Q16790 1/20 0.60
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
PDE3B Q13370 4/20 0.58
PDE3A Q14432 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 2/20 0.58
TBXAS1 P24557 2/20 0.58
TDP2 O95551 1/20 0.54
NPC1 O15118 2/20 0.51
MMP12 P39900 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2B6 P20813 1/20 0.49

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
SCHEMBL10711906 0.86 PDE3B (0.68) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL736368 0.86 CA9 (0.73) KIF11CA9MAPTALDH1A1POLB
SCHEMBL3306566 0.85 KIF11 (0.69) KIF11MAPTALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL17544899 0.84 CA9 (0.71) KIF11CA9MAPTALDH1A1POLB
SCHEMBL3307966 0.83 KIF11 (0.68) KIF11MAPTALDH1A1POLBHTT
SCHEMBL4596554 0.83 KIF11 (0.68) KIF11MAPTALDH1A1POLBHTT
SCHEMBL3312587 0.83 KIF11 (0.72) KIF11MAPTALDH1A1POLBHTT
SCHEMBL14865934 0.83 KIF11 (0.68) KIF11MAPTALDH1A1POLBHTT
SCHEMBL4899671 0.83 KIF11 (0.62) KIF11MAPTALDH1A1POLBHTT
SCHEMBL3307683 0.81 KIF11 (0.61) KIF11MAPTALDH1A1POLBHTT

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 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 562/4885CA9 2775/4885MAPT 2954/4885

“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.