SCHEMBL5035981

SCHEMBL5035981

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MET P08581 2/20 0.36
CDK9 P50750 2/20 0.36
ADRB1 P08588 2/20 0.36
CYP2D6 P10635 4/20 0.35
PORCN Q9H237 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 3/20 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

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
SCHEMBL5040954 0.92 MAPT (0.38) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5037649 0.89 ABL1 (0.44) METCDK9
SCHEMBL5040907 0.87 MET (0.39) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5033813 0.87 MET (0.42) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5140307 0.86 MET (0.45) MAPTLMNAALDH1A1METCDK9
SCHEMBL5035937 0.85 MET (0.43) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL6017771 0.85 CD38 (0.38) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5036506 0.85 MET (0.40) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5040866 0.85 MET (0.43) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL5042878 0.85 KDM4E (0.41) MAPTLMNAALDH1A1HTTNPSR1

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 MAPT 4854/4885LMNA 4225/4885ALDH1A1 1134/4885

“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.