SCHEMBL3896342

SCHEMBL3896342

NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.52
MAOB P27338 2/20 0.47
HDAC2 Q92769 1/20 0.44
AGXT P21549 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3556000 0.85 IDO1 (0.44) KIF11TAAR1
SCHEMBL3901609 0.84 KIF11 (0.50) KIF11MAOBHDAC2AGXT
SCHEMBL16894138 0.82 MAOB (0.51) KIF11MAOBAGXTTAAR1
SCHEMBL28266587 0.79 ALDH1A1 (0.45) MAOBHDAC2AGXTTAAR1
SCHEMBL3786331 0.79 CYP3A4 (0.48) KIF11TAAR1
SCHEMBL3903661 0.79 KIF11 (0.61) KIF11MAOBHDAC2AGXT
SCHEMBL3804563 0.77 TAAR1 (0.50) HDAC2TAAR1DPP4
SCHEMBL3899696 0.76 KIF11 (0.57) KIF11MAOBHDAC2AGXT
SCHEMBL4596164 0.74 ALDH1A1 (0.42) KIF11MAOBAGXT
SCHEMBL3908682 0.74 CYP3A4 (0.63) KIF11MAOBHDAC2AGXT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
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
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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 (2 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 562/4885MAOB 2353/4885HDAC2 1216/4885
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885MAOB 2109/4885HDAC2 1477/4885

“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.