SCHEMBL3582941

SCHEMBL3582941

O=c1ccn(C2C=CC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.61
HSP90AA1 P07900 1/20 0.49
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 3/20 0.38
NT5E P21589 1/20 0.38
P2RY2 P41231 2/20 0.37
P2RY12 Q9H244 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 1/20 0.36
BLM P54132 1/20 0.36
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36
P2RY6 Q15077 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL8541641 1.00 DUT (0.61) DUTHSP90AA1MEN1KMT2ABCHE
SCHEMBL8541638 1.00 DUT (0.61) DUTHSP90AA1MEN1KMT2ABCHE
SCHEMBL8539929 0.99 DUT (0.60) DUTHSP90AA1MEN1KMT2ABCHE
SCHEMBL1875470 0.82 DUT (0.48) DUTHSP90AA1BCHENT5E
SCHEMBL8539901 0.82 ALDH1A1 (0.59) HSP90AA1BCHEALDH1A1LMNAALB
SCHEMBL30976649 0.82 HSP90AA1 (0.52) DUTHSP90AA1BCHEALDH1A1LMNA
SCHEMBL30976633 0.82 HSP90AA1 (0.52) DUTHSP90AA1BCHEALDH1A1LMNA
SCHEMBL30976657 0.82 HSP90AA1 (0.68) DUTHSP90AA1BCHEALDH1A1LMNA
SCHEMBL8539898 0.82 ALDH1A1 (0.59) HSP90AA1BCHEALDH1A1LMNAALB
SCHEMBL30976640 0.81 HSP90AA1 (0.51) DUTHSP90AA1BCHEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
EP-1701952-A1 DUTPASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066160-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO 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 (2 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-20080300216-A1 Dutpase Inhibitors DUT, DHODH, POLR2H DUT 1/4885HSP90AA1 4778/4885MEN1 3105/4885
US-20100075924-A1 DUTPASE INHIBITORS DUT, DHODH, CCNO DUT 1/4885HSP90AA1 4799/4885MEN1 3518/4885

“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.