SCHEMBL105955

SCHEMBL105955

NC(=O)c1onc(-c2ccc(Br)cc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CACNA1F O60840 1/20 0.38

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
SCHEMBL105146 0.84 IKBKB (0.48) RAB9ALMNAALDH1A1KDM4EHPGD
SCHEMBL1244840 0.79 LRRK2 (0.48) LMNAMEN1GAAKMT2A
SCHEMBL105959 0.78 RAB9A (0.42) RAB9ALMNACA1CA2ALDH1A1
SCHEMBL13170545 0.73 RAB9A (0.48) RAB9ALMNACA1CA2ALDH1A1
SCHEMBL27778836 0.71 MEN1 (0.49) RAB9ALMNAALDH1A1KDM4EHPGD
SCHEMBL13745059 0.71 RAB9A (0.69) RAB9ALMNACA1CA2ALDH1A1
SCHEMBL13316477 0.69 GAA (0.50) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL27971823 0.69 RAB9A (0.45) RAB9ACA1CA2ALDH1A1CA4
SCHEMBL15048567 0.68 LMNA (0.41) RAB9ALMNACA1CA2ALDH1A1
SCHEMBL16485987 0.67 MEN1 (0.55) LMNACA1CA2ALDH1A1CA4

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 4 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
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 3030/4885LMNA 3669/4885CA1 4389/4885

“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.