SCHEMBL5033529

SCHEMBL5033529

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NCCCN4CCOCC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5036624 0.95 TSHR (0.43) JAK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5037583 0.94 ENPP3 (0.43) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5040947 0.93 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5037835 0.93 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036643 0.92 ENPP3 (0.40) TP53ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL7049581 0.92 ENPP3 (0.43) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036401 0.92 ENPP3 (0.42) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL7047830 0.90 TSHR (0.38) JAK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5042839 0.89 ENPP3 (0.44) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5033487 0.88 ENPP3 (0.45) POLBENPP3ENPP1ENPP2SMN1; 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 5 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
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 JAK1 556/4885NPSR1 2148/4885POLB 3183/4885

“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.