SCHEMBL5042907

SCHEMBL5042907

O=C(NCc1ccccc1F)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACR P10323 1/20 0.48
MET P08581 1/20 0.45
CDK9 P50750 1/20 0.45
NAMPT P43490 2/20 0.44
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ENPP3 O14638 6/20 0.37
ENPP1 P22413 5/20 0.37
ENPP2 Q13822 4/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL7048978 0.92 ACR (0.41) ACRMETCDK9NAMPTRAB9A
SCHEMBL5033564 0.91 MET (0.40) ACRMETCDK9NAMPTRAB9A
SCHEMBL5035947 0.90 ABL1 (0.41) METCDK9NAMPTRAB9ANPC1
SCHEMBL5036355 0.89 NPC1 (0.42) METCDK9NAMPTRAB9ANPC1
SCHEMBL5042858 0.88 NPC1 (0.50) METCDK9RAB9ANPC1LMNA
SCHEMBL5037930 0.87 NAMPT (0.46) METCDK9NAMPTRAB9ANPC1
SCHEMBL5040730 0.87 CA12 (0.45) METCDK9RAB9ANPC1GSK3A
SCHEMBL5040737 0.86 ABL1 (0.43) METCDK9RAB9ANPC1ENPP3
SCHEMBL5043028 0.86 MET (0.44) ACRMETCDK9RAB9ANPC1
SCHEMBL5043133 0.85 NAMPT (0.50) NAMPT

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 ACR 551/4885MET 294/4885CDK9 136/4885

“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.