SCHEMBL5035947

SCHEMBL5035947

COc1ccccc1CNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
TP53 P04637 2/20 0.41
ROCK2 O75116 2/20 0.41
POLB P06746 2/20 0.41
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NAMPT P43490 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 3/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL5042907 0.90 ACR (0.48) POLBMETCDK9NPC1RAB9A
SCHEMBL5033564 0.90 MET (0.40) ABL1ROCK2POLBMETCDK9
SCHEMBL5042842 0.88 MAPT (0.42) TP53NPC1RAB9ALMNATSHR
SCHEMBL5036355 0.88 NPC1 (0.42) ROCK2METCDK9NPC1RAB9A
SCHEMBL5040737 0.86 ABL1 (0.43) ABL1METCDK9NPC1RAB9A
SCHEMBL5037847 0.86 MET (0.42) ABL1METCDK9NPC1RAB9A
SCHEMBL5036693 0.86 MET (0.41) METCDK9NPC1RAB9AHTT
SCHEMBL5040730 0.85 CA12 (0.45) TP53METCDK9NPC1RAB9A
SCHEMBL5033565 0.85 MET (0.55) ABL1POLBMETCDK9NPC1
SCHEMBL5043065 0.85 NPC1 (0.44) POLBMETCDK9NPC1RAB9A

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 ABL1 83/4885TP53 162/4885ROCK2 4066/4885

“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.