SCHEMBL5037569

SCHEMBL5037569

O=S(=O)(Oc1ccc2nc(NCc3nc(-c4ccccc4)no3)[nH]c2c1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
MET P08581 2/20 0.39
CDK9 P50750 2/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL6017699 0.94 MAPT (0.48) MAPTSMN1; SMN2RAB9ATP53KMT2A
SCHEMBL5036443 0.86 MAPT (0.42) MAPTSMN1; SMN2RAB9ATP53KMT2A
SCHEMBL5036359 0.84 RAB9A (0.61) SMN1; SMN2RAB9ATP53KMT2AALDH1A1
SCHEMBL5036108 0.76 RAB9A (0.50) SMN1; SMN2RAB9ATP53KMT2AALDH1A1
SCHEMBL5037797 0.76 RAB9A (0.48) SMN1; SMN2RAB9ATP53HDAC6MET
SCHEMBL5036435 0.76 RAB9A (0.60) SMN1; SMN2RAB9ATP53KMT2AALDH1A1
SCHEMBL5140614 0.72 TP53 (0.48) MAPTSMN1; SMN2RAB9ATP53KMT2A
SCHEMBL6017773 0.70 RAB9A (0.70) MAPTSMN1; SMN2RAB9ATP53KMT2A
Luxabendazole SCHEMBL321908 0.70 TUBB4A (0.67) SMN1; SMN2TP53KMT2AALDH1A1TSHR
Luxabendazole SCHEMBL1193261 0.69 TUBB4A (0.66) SMN1; SMN2TP53KMT2AALDH1A1TSHR

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 MAPT 4854/4885SMN1; SMN2 2426/4885RAB9A 3264/4885

“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.