SCHEMBL6017728

SCHEMBL6017728

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 4/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.38
KLF5 Q13887 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
HTT P42858 1/20 0.37
ENPP1 P22413 2/20 0.37

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
SCHEMBL5042939 0.94 RAB9A (0.45) RAB9ANPC1KMT2APKMMEN1
SCHEMBL5033501 0.90 HDAC1 (0.47) RAB9ANPC1KMT2APKMMEN1
SCHEMBL5036193 0.87 CYP3A4 (0.38) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL5140492 0.86 NAMPT (0.44)
SCHEMBL5036014 0.85 MMP1 (0.40) SMN1; SMN2ALDH1A1MAPTMAPK1HTT
SCHEMBL5040954 0.85 MAPT (0.38) ALDH1A1MAPTMAPK1HTTLMNA
SCHEMBL5035937 0.85 MET (0.43) ALDH1A1CA1CA2CA9MAPT
SCHEMBL6017771 0.85 CD38 (0.38) KMT2AALDH1A1MAPTMAPK1HTT
SCHEMBL5036489 0.85 KDR (0.43) RAB9ASMN1; SMN2ALDH1A1MAPK1MTOR
SCHEMBL5037649 0.85 ABL1 (0.44) ABL1

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 2 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 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 RAB9A 3264/4885NPC1 3782/4885KMT2A 2114/4885

“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.