SCHEMBL105959

SCHEMBL105959

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 3/20 0.38
CA7 P43166 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
PRNP P04156 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 1/20 0.36
CA9 Q16790 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
SCHEMBL104401 0.86 ALDH1A1 (0.43) RAB9AALDH1A1MAPTMAPK1NPSR1
SCHEMBL105960 0.80 CACNA1F (0.50) RAB9AALDH1A1MAPTMAPK1NPSR1
SCHEMBL105955 0.78 RAB9A (0.50) RAB9AALDH1A1MAPTMAPK1CA1
SCHEMBL27778831 0.74 ABCB1 (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL104403 0.73 ALDH1A1 (0.43) RAB9AALDH1A1MAPTNPSR1MEN1
SCHEMBL13316478 0.71 ABCB1 (0.46) RAB9AALDH1A1MAPTMAPK1MEN1
SCHEMBL22609379 0.69 MAPT (0.40) RAB9AALDH1A1MAPTMAPK1NPSR1
SCHEMBL3608887 0.69 PTGS1 (0.53) ALDH1A1MAPTMAPK1POLBKDM4E
SCHEMBL28423506 0.68 MAPT (0.40) RAB9AALDH1A1MAPTMAPK1NPSR1
SCHEMBL1753170 0.66 CACNA1F (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A

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 RAB9A 3030/4885ALDH1A1 3128/4885MAPT 4685/4885

“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.