SCHEMBL5037648

SCHEMBL5037648

O=C(NCCCCO)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
CDK9 P50750 1/20 0.43
ACR P10323 1/20 0.37
DRD3 P35462 5/20 0.36
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
F9 P00740 1/20 0.34
ACP1 P24666 1/20 0.34
DRD2 P14416 3/20 0.34
BRD4 O60885 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PORCN Q9H237 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL5037640 0.98 MET (0.45) METCDK9ACRDRD3ABL1
SCHEMBL5035937 0.95 MET (0.43) METCDK9ACRABL1LMNA
SCHEMBL5040866 0.93 MET (0.43) METCDK9ACRABL1LMNA
SCHEMBL5140307 0.92 MET (0.45) METCDK9DRD3ABL1LMNA
SCHEMBL5037631 0.92 MET (0.41) METCDK9ACRABL1LMNA
SCHEMBL5043076 0.91 MEN1 (0.44) METCDK9LMNAMAPK1MEN1
SCHEMBL5042906 0.91 MET (0.43) METCDK9ACRABL1LMNA
SCHEMBL5036238 0.90 MET (0.45) METCDK9DRD3ABL1LMNA
SCHEMBL5036703 0.89 DRD3 (0.42) METCDK9DRD3DRD2CYP3A4
SCHEMBL5037709 0.89 MET (0.41) METCDK9ACRLMNAMAPK1

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-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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 MET 294/4885CDK9 136/4885ACR 551/4885

“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.