SCHEMBL5033747

SCHEMBL5033747

COc1cc(Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.39
ENPP1 P22413 4/20 0.39
ENPP2 Q13822 3/20 0.39
KDR P35968 1/20 0.38
HTR6 P50406 4/20 0.38
GALR2 O43603 2/20 0.36
GALR1 P47211 2/20 0.36
CCR6 P51684 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
JAK2 O60674 1/20 0.35
CYP3A4 P08684 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
IDH2 P48735 1/20 0.34
AR P10275 1/20 0.34
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
CNR1 P21554 1/20 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
SCHEMBL5042961 0.89 HTR6 (0.45) HTR6GALR2GALR1CCR6IDH2
SCHEMBL7148418 0.86 GALR2 (0.47) HTR6GALR2GALR1CCR6IDH2
SCHEMBL5033423 0.84 ENPP3 (0.40) ENPP3ENPP1ENPP2HTR6
SCHEMBL5033414 0.84 MAPT (0.41) HTR6IDH2SYK
SCHEMBL5037857 0.82 ENPP3 (0.40) ENPP3ENPP1ENPP2HTR6CCR6
SCHEMBL5033442 0.81 NPC1 (0.38) ENPP3ENPP1ENPP2HTR6SYK
SCHEMBL5043065 0.80 NPC1 (0.44) ENPP3ENPP1ENPP2KDRHTR6
SCHEMBL5033699 0.78 NPC1 (0.46) KDRGALR2GALR1
SCHEMBL5037881 0.77 LMNA (0.43) JAK2JAK1JAK3SYK
SCHEMBL5036539 0.77 ENPP3 (0.50) ENPP3ENPP1ENPP2KDR

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 ENPP3 2927/4885ENPP1 3915/4885ENPP2 2109/4885

“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.