SCHEMBL5033545

SCHEMBL5033545

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NCc4ccccn4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ENPP3 O14638 9/20 0.42
ENPP1 P22413 8/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ENPP2 Q13822 6/20 0.42
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5043124 0.92 SMN1; SMN2 (0.44) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5043081 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL14300527 0.88 MCL1 (0.48) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL5036041 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5036505 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5040876 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5037697 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5036123 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5040779 0.85 ALDH1A1 (0.45) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5036599 0.84 ALOX12 (0.49) SMN1; SMN2ENPP3ENPP1NPC1RAB9A

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 SMN1; SMN2 2426/4885ENPP3 2927/4885ENPP1 3915/4885

“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.