SCHEMBL5036037

SCHEMBL5036037

Nc1ccc(OS(=O)(=O)c2ccc(O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TSHR P16473 1/20 0.43
CA9 Q16790 4/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 2/20 0.42
NSD2 O96028 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42

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
SCHEMBL11518080 0.87 FFAR4 (0.56) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL5033435 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10741844 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11628716 0.86 TSHR (0.58) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11627411 0.86 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11663270 0.86 TDP1 (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11290098 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10733230 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10732476 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11629184 0.83 APEX1 (0.53) ALDH1A1MEN1KMT2APOLBPKM

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 7 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
CN-100346786-C Substituted benzimidazole compounds and their use in the treatment of cancer AVENTIS PHARMA SA (FR) 2007-11-07 CN 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
CN-1558761-A substituted benzimidazole compounds and their use in the treatment of cancer �㶫��������ҽҩ�ɷ����޹�˾ 2004-12-29 CN 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 ALDH1A1 1134/4885MEN1 3925/4885KMT2A 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.