SCHEMBL2332825

SCHEMBL2332825

COC(=O)c1ccc(-c2c(SC)oc3cc(OC)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ CYP19A1 P11511 7/20 0.54
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP1 P29466 1/20 0.48

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
SCHEMBL2332550 0.74 ESR1 (0.60) TSHRCYP19A1ALDH1A1CYP2C9CYP2C19
SCHEMBL9609212 0.74 MAPT (0.57) TSHRCA1CA2ALDH1A1CYP2C9
SCHEMBL9052961 0.73 CA1 (0.71) CYP19A1CA1CA2ALDH1A1CYP1A2
SCHEMBL3822070 0.72 ALDH1A1 (0.67) CYP19A1CA1CA2ALDH1A1CYP1A2
SCHEMBL2332170 0.71 CA1 (0.47) TSHRCA1CA2ALDH1A1KMT2A
SCHEMBL29482680 0.71 CA1 (0.71) CYP19A1CA1CA2ALDH1A1CYP1A2
SCHEMBL3810768 0.70 CYP19A1 (0.86) CYP19A1CA1CA2ALDH1A1CYP1A2
SCHEMBL3813366 0.70 CYP19A1 (1.00) CYP19A1CA1CA2ALDH1A1CYP1A2
SCHEMBL13692850 0.70 MAPT (0.80) TSHRCA1CA2ALDH1A1CYP1A2
SCHEMBL3204569 0.70 ALDH1A1 (1.00) TSHRCYP19A1CA1CA2ALDH1A1

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 TSHR 887/4885CYP19A1 125/4885CA1 4255/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TSHR 887/4885CYP19A1 125/4885CA1 4255/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TSHR 887/4885CYP19A1 125/4885CA1 4255/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TSHR 887/4885CYP19A1 125/4885CA1 4255/4885

“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.

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