SCHEMBL5036005

SCHEMBL5036005

O=C(Nc1cccc(Cl)c1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
TEK Q02763 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CD38 P28907 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
MET P08581 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
CDK9 P50750 1/20 0.40
TUBA1B P68363 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
SCHEMBL7044049 0.93 KDR (0.41) KDRTEKMEN1KMT2ACD38
SCHEMBL5033479 0.92 MEN1 (0.42) KDRTEKMEN1KMT2ACD38
SCHEMBL5036489 0.91 KDR (0.43) KDRTEKLMNAMAPK1ALDH1A1
SCHEMBL5040820 0.91 MTOR (0.51) KDRTEKMEN1KMT2ACD38
SCHEMBL5040723 0.90 RAF1 (0.42) KDRTEKMEN1KMT2ALMNA
SCHEMBL5040973 0.87 ENPP1 (0.41) KDRTEKCD38CA12CA1
SCHEMBL5042878 0.87 KDM4E (0.41) KDRTEKMEN1KMT2ACA12
SCHEMBL5040689 0.87 TUBB4A (0.42) KDRMEN1KMT2ACA12CA1
SCHEMBL5042989 0.85 CA12 (0.40) KDRTEKCA12CA1CA2
SCHEMBL7044404 0.85 ROCK2 (0.37) KDRTEKMEN1KMT2ACD38

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 KDR 1977/4885TEK 3320/4885MEN1 3925/4885

“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.