SCHEMBL5042956

SCHEMBL5042956

O=C(NCCN1CCOCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCNCC4)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MET P08581 1/20 0.37
CDK9 P50750 1/20 0.37
TSHR P16473 1/20 0.37
NAMPT P43490 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
AURKB Q96GD4 1/20 0.35
SCN9A Q15858 1/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL5036221 0.96 SMN1; SMN2 (0.40) ABL1ALDH1A1KDM4ESMN1; SMN2CNR1
SCHEMBL14300260 0.90 MET (0.45) ABL1ALDH1A1KDM4ESMN1; SMN2CNR1
SCHEMBL5043112 0.90 MET (0.45) ABL1ALDH1A1KDM4ESMN1; SMN2CNR1
SCHEMBL5042953 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2CNR1LMNA
SCHEMBL5139529 0.86 MET (0.51) ALDH1A1KDM4ESMN1; SMN2CNR1LMNA
SCHEMBL5036218 0.86 MET (0.40) ALDH1A1KDM4ESMN1; SMN2CNR1LMNA
SCHEMBL5041007 0.86 MET (0.52) ABL1AXLTYRO3MERTKALDH1A1
SCHEMBL5036524 0.85 AURKB (0.43) ALDH1A1KDM4ESMN1; SMN2CNR1LMNA
SCHEMBL5042893 0.85 MET (0.38) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL5036224 0.84 MET (0.52) ALDH1A1KDM4ESMN1; SMN2CNR1LMNA

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 ABL1 83/4885AXL 222/4885TYRO3 63/4885

“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.