SCHEMBL5036631

SCHEMBL5036631

COc1cccc(CNc2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 4/20 0.44
HIF1A Q16665 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
MET P08581 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
CDK9 P50750 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL5036479 0.92 ULK1 (0.45) KMT2AMEN1TUBB4ATUBBMET
SCHEMBL5043081 0.90 SMN1; SMN2 (0.48) SMN1; SMN2ENPP3ENPP1ENPP2POLB
SCHEMBL5043026 0.88 GAA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5037833 0.87 ENPP1 (0.51) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL5040876 0.87 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2ALDH1A1ENPP3ENPP1
SCHEMBL5033498 0.87 ENPP3 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1ENPP3
SCHEMBL5036505 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ENPP3ENPP1ENPP2POLB
SCHEMBL5036599 0.86 ALOX12 (0.49) KMT2AMEN1HIF1ASMN1; SMN2ENPP3
SCHEMBL5036147 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ENPP3ENPP1ENPP2POLB
SCHEMBL5041054 0.86 ALOX12 (0.47) HIF1ATUBB4ATUBBMETTUBA3C

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 KMT2A 2114/4885MEN1 3925/4885PKM 247/4885

“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.