SCHEMBL2763434

SCHEMBL2763434

COc1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ANO1 Q5XXA6 1/20 0.50
ANO2 Q9NQ90 1/20 0.50
RORC P51449 1/20 0.49
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6755208 0.94 ANO1 (0.46) ALDH1A1PKMCRHBPCRHR2ANO1
SCHEMBL3163381 0.81 PDE7A (0.65) ALDH1A1MAPTTDP1CTSVCTSL
SCHEMBL2112486 0.79 HTT (0.57) ALDH1A1TDP1POLBKMT2AHTT
SCHEMBL4433443 0.79 ALDH1A1 (0.52) ALDH1A1MAPTTDP1CTSVCTSL
SCHEMBL6932354 0.79 CTSV (0.59) ALDH1A1PKMMAPTCTSVCTSL
SCHEMBL21624277 0.78 LCK (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13240473 0.78 LMNA (0.53) ALDH1A1MAPTTDP1CTSVCTSL
SCHEMBL11388169 0.78 HTT (0.61) ALDH1A1CRHBPCRHR2ANO1ANO2
SCHEMBL1671926 0.78 CTSV (0.60) ALDH1A1PKMANO1ANO2MAPT
SCHEMBL28574496 0.77 KDM4E (0.71) ALDH1A1MAPTLMNAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
EP-2174939-A1 Pyranones useful as ATM inhibitors Kudos Pharmaceuticals Limited (GB) 2010-04-14 EP disclosed
EP-2174939-A1 Pyranones useful as ATM inhibitors Kudos Pharmaceuticals Limited (GB) 2010-04-14 EP disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
US-7049313-B2 ATM inhibitors KUDOS PHARMACEUTICALS LTD. (GB) 2006-05-23 US disclosed
EP-1485377-A1 PYRANONES USEFUL AS ATM INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-12-15 EP disclosed
US-20040002492-A1 Induce immunology response; anticancer agents KUDOS PHARMACEUTICALS LTD (GB) 2004-01-01 US disclosed
WO-2003070726-A1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARMACEUTICALS LTD (GB) 2003-08-28 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 (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-20040002492-A1 Induce immunology response; anticancer agents MYD88, IFNG, HCCS ALDH1A1 3856/4885PKM 4161/4885CRHBP 1877/4885

“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.