SCHEMBL105960

SCHEMBL105960

CCOC(=O)c1onc(-c2ccc(Br)cc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.50
ABCB1 P08183 4/20 0.50
CACNA1D Q01668 4/20 0.50
CACNA1S Q13698 4/20 0.50
CACNA1C Q13936 4/20 0.50
TARBP2 Q15633 1/20 0.47
HTT P42858 1/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 4/20 0.42
CYP19A1 P11511 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA12 O43570 1/20 0.41
AR P10275 1/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 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
SCHEMBL1753170 0.88 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CTARBP2
SCHEMBL1244895 0.86 PTGS2 (0.46) MAPTCA9CA1CA2CA12
SCHEMBL13214659 0.79 LMNA (0.43) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL13674 0.75 CACNA1F (0.62) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL18792559 0.74 CACNA1F (0.48) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3608887 0.74 PTGS1 (0.53) ABCB1HTTMAPTALDH1A1MAPK1
SCHEMBL104403 0.73 ALDH1A1 (0.43) HTTRAB9AMAPTMEN1NPC1
SCHEMBL3456699 0.73 RAB9A (0.74) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL14710878 0.72 HTT (0.50) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL14709097 0.72 HTT (0.57) CACNA1FABCB1CACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CACNA1F 2523/4885ABCB1 1348/4885CACNA1D 3594/4885

“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.