SCHEMBL5776863

SCHEMBL5776863

COC(=O)c1cn(-c2cccc(Nc3ccc(-c4ccoc4)cc3N)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.39
HDAC2 Q92769 5/20 0.38
HDAC3 O15379 4/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
PDE4B Q07343 1/20 0.35
HDAC1 Q13547 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 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
SCHEMBL5781406 0.86 MAPT (0.39) MEN1KMT2ANR4A2GAAPDE4B
SCHEMBL2650836 0.79 PTGER4 (0.42) MEN1KMT2ANPC1GAAGFER
SCHEMBL2643607 0.79 HDAC2 (0.39) MEN1KMT2AHDAC2HDAC3NPC1
SCHEMBL7829252 0.77 ABL1 (0.46) MEN1KMT2AHDAC2HDAC1
SCHEMBL2650863 0.77 FGFR1 (0.46) MEN1KMT2ANR4A2NPC1
SCHEMBL2643125 0.73 SYK (0.37) MEN1KMT2AHDAC2HDAC3HDAC1
SCHEMBL2660003 0.72 ALDH1A1 (0.44) HDAC2HDAC3GAA
SCHEMBL27482947 0.72 GAA (0.47) MEN1KMT2AHDAC2NPC1GAA
SCHEMBL2653198 0.72 MEN1 (0.55) MEN1KMT2ANPC1GAATUBB4A
SCHEMBL2643778 0.71 GAA (0.54) MEN1KMT2AHDAC2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MEN1 4632/4885KMT2A 1116/4885NR4A2 822/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MEN1 4691/4885KMT2A 1597/4885NR4A2 943/4885

“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.