SCHEMBL5043112

SCHEMBL5043112

O=C(NCCN1CCOCC1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCC4CCOCC4)cc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.45
CDK9 P50750 2/20 0.45
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 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
SCHEMBL14300260 0.98 MET (0.45) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5036221 0.92 SMN1; SMN2 (0.40) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5036928 0.90 MET (0.46) METCDK9LMNATUBB4ATUBB
SCHEMBL5036827 0.90 MET (0.49) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5036676 0.90 MET (0.49) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5042956 0.90 ABL1 (0.39) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5036423 0.89 MET (0.50) METCDK9LMNATUBB4ATUBB
SCHEMBL5040792 0.88 MET (0.49) METCDK9CNR1SMN1; SMN2LMNA
SCHEMBL5037767 0.88 MET (0.59) METCDK9LMNATUBB4ATUBB
SCHEMBL5036590 0.87 MET (0.47) METCDK9CNR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 MET 294/4885CDK9 136/4885CNR1 107/4885

“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.