SCHEMBL5036014

SCHEMBL5036014

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1)N1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.40
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS2 P35228 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
MET P08581 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
CDK9 P50750 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 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
SCHEMBL6017996 0.86 KDM4E (0.44) MMP1LMNAMAPTHTTALDH1A1
SCHEMBL5037717 0.86 ENPP3 (0.45) MMP1SMN1; SMN2
SCHEMBL5037865 0.86 MMP1 (0.42) MMP1LMNAMAPTHTTNOS2
SCHEMBL6017771 0.86 CD38 (0.38) MMP1LMNAMAPTHTTALDH1A1
SCHEMBL6017728 0.85 RAB9A (0.39) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL5037996 0.85 NPC1 (0.44) MMP1MAPTHTTNOS2ESR1
SCHEMBL5040906 0.85 NPC1 (0.46) MMP1MAPTHTTNOS2ESR1
SCHEMBL5040690 0.85 MMP1 (0.41) MMP1MAPTHTTNOS2
SCHEMBL5043085 0.85 NPC1 (0.41) MMP1CYP2D6CYP2C19ESR1CYP19A1
SCHEMBL5042872 0.85 MET (0.40) MMP1CYP1A2CYP2D6CYP2C9CYP2C19

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 MMP1 4550/4885LMNA 4225/4885MAPT 4854/4885

“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.