SCHEMBL5037835

SCHEMBL5037835

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NCCCN4CCCCC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 13/20 0.44
ENPP1 P22413 11/20 0.44
ENPP2 Q13822 10/20 0.44
CHRNA7 P36544 3/20 0.41
KCNH2 Q12809 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5040947 1.00 ENPP3 (0.44) ENPP3ENPP1ENPP2CHRNA7KCNH2
SCHEMBL5037583 0.99 ENPP3 (0.43) ENPP3ENPP1ENPP2CHRNA7KCNH2
SCHEMBL7049581 0.98 ENPP3 (0.43) ENPP3ENPP1ENPP2CHRNA7KCNH2
SCHEMBL5036401 0.97 ENPP3 (0.42) ENPP3ENPP1ENPP2CHRNA7KCNH2
SCHEMBL5033487 0.95 ENPP3 (0.45) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5042839 0.94 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036643 0.94 ENPP3 (0.40) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5033529 0.93 JAK1 (0.40) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5037919 0.89 L3MBTL1 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036324 0.89 SMN1; SMN2 (0.41) ENPP3ENPP1ENPP2SMN1; SMN2

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 ENPP3 2927/4885ENPP1 3915/4885ENPP2 2109/4885

“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.