SCHEMBL6017720

SCHEMBL6017720

COC(=O)C1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.41
PORCN Q9H237 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
NOS2 P35228 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
MET P08581 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
CDK9 P50750 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL5037865 0.93 MMP1 (0.42) MMP1PORCNMAPTHTTTP53
SCHEMBL5040690 0.92 MMP1 (0.41) MMP1PORCNMAPTHTTNOS2
SCHEMBL5036619 0.85 GAA (0.39) GAAMAPTHTTTP53TUBB4A
SCHEMBL5036014 0.85 MMP1 (0.40) MMP1MAPTHTTNOS2TUBB4A
SCHEMBL5037717 0.83 ENPP3 (0.45) MMP1
SCHEMBL5040906 0.82 NPC1 (0.46) MMP1MAPTHTTNOS2CD38
SCHEMBL5037996 0.82 NPC1 (0.44) MMP1MAPTHTTNOS2CD38
SCHEMBL5043085 0.82 NPC1 (0.41) MMP1CYP2C19CD38
SCHEMBL6017996 0.81 KDM4E (0.44) MMP1MAPTHTTLMNACYP2C9
SCHEMBL5036523 0.81 NPC1 (0.48) MMP1MAPTHTTNOS2LMNA

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
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 MMP1 4550/4885PORCN 3365/4885GAA 1929/4885

“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.