SCHEMBL5582470

SCHEMBL5582470

COC(=O)c1sc(Nc2cc(OCc3ccc(OC)cc3)ccc2[N+](=O)[O-])cc1OC(C)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PLK1 P53350 7/20 0.39
PLK3 Q9H4B4 6/20 0.39
MAPT P10636 7/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CDK2 P24941 1/20 0.36
IKBKE Q14164 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2982204 1.00 AKR1B10 (0.39) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL13592863 0.96 BACE1 (0.38) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2983660 0.94 AKR1C3 (0.43) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2983664 0.94 AKR1C3 (0.43) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL13592925 0.91 AKR1B10 (0.39) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL4398208 0.90 PLK1 (0.37) PLK1PLK3MAPTMEN1KMT2A
SCHEMBL4560751 0.89 PLK1 (0.41) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2982288 0.89 PLK1 (0.41) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL13686562 0.89 AKR1B10 (0.35) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL2992276 0.88 PLK1 (0.42) PLK1PLK3MAPTCDK2IKBKE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 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-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 AKR1B10 1406/4885AKR1B1 1979/4885AKR1C4 1470/4885

“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.