SCHEMBL2328880

SCHEMBL2328880

COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
CYP3A4 P08684 1/20 0.61
ATM Q13315 1/20 0.61
ESR1 P03372 1/20 0.60
SHBG P04278 1/20 0.60
ESR2 Q92731 1/20 0.60
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59

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
SCHEMBL2334134 0.84 MAPT (0.63) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2332007 0.82 HPGD (0.70) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL177038 0.80 CA12 (0.67) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2337581 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL18176742 0.79 LMNA (0.69) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2329566 0.79 SRD5A2 (0.53) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL7148532 0.79 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5800628 0.77 ALDH1A1 (1.00) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3958571 0.77 LMNA (1.00) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL22006228 0.77 CA12 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A

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
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
EP-2533637-B1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-03-26 EP disclosed
US-8669381-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 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 (4 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885HPGD 98/4885MAPT 3897/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885HPGD 98/4885MAPT 3897/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885HPGD 98/4885MAPT 3897/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885HPGD 98/4885MAPT 3897/4885

“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.