SCHEMBL5042939

SCHEMBL5042939

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 4/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
ENPP1 P22413 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SCD O00767 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR17 Q13304 1/20 0.41
MAPT P10636 3/20 0.41
MTOR P42345 1/20 0.41
KLF5 Q13887 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ENPP3 O14638 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
SCHEMBL6017728 0.94 RAB9A (0.39) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL5033501 0.93 HDAC1 (0.47) RAB9ANPC1SMN1; SMN2PKMENPP1
SCHEMBL5036193 0.90 CYP3A4 (0.38) RAB9ANPC1SMN1; SMN2ENPP1KDM4E
SCHEMBL5036489 0.89 KDR (0.43) RAB9ASMN1; SMN2ENPP1ALDH1A1MTOR
SCHEMBL5036548 0.88 MAPK1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5037557 0.86 NAMPT (0.44) CYP3A4CYP2D6PORCNCYP4Z1
SCHEMBL5036014 0.85 MMP1 (0.40) SMN1; SMN2ALDH1A1MAPTMAPK1HTT
SCHEMBL5036681 0.85 NPC1 (0.49) RAB9ANPC1MEN1KMT2AMTOR
SCHEMBL5040689 0.85 TUBB4A (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5035937 0.84 MET (0.43) ALDH1A1MAPTMAPK1HTTLMNA

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 RAB9A 3264/4885NPC1 3782/4885SMN1; SMN2 2426/4885

“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.