SCHEMBL5042953

SCHEMBL5042953

O=C(NCCN1CCOCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
TNK2 Q07912 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
MET P08581 1/20 0.37
CDK9 P50750 1/20 0.37
TSHR P16473 2/20 0.37
ATM Q13315 1/20 0.36
PKM P14618 2/20 0.36
NAMPT P43490 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL5042893 0.97 MET (0.38) ALDH1A1GAAMAPTTNK2KDM4E
SCHEMBL5037838 0.96 ALDH1A1 (0.39) ALDH1A1GAAMAPTTNK2KDM4E
SCHEMBL5037742 0.93 MAPT (0.39) ALDH1A1GAAMAPTTNK2KDM4E
SCHEMBL5036221 0.91 SMN1; SMN2 (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5033975 0.90 MET (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5036210 0.90 MET (0.39) ALDH1A1GAAMAPTKDM4EMET
SCHEMBL5041033 0.90 MET (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5042956 0.88 ABL1 (0.39) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5037918 0.88 MET (0.42) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5036471 0.88 MET (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2

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 ALDH1A1 1134/4885GAA 1929/4885MAPT 4854/4885

“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.