SCHEMBL2360039

SCHEMBL2360039

O=c1c(-c2ccc(-c3nnn[nH]3)cc2)coc2cc(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ NPC1 O15118 6/20 0.67
▸ RAB9A P51151 6/20 0.67
▸ HSD17B10 Q99714 5/20 0.67
▸ MAPT P10636 5/20 0.67
▸ MAOA P21397 5/20 0.67
▸ MAOB P27338 5/20 0.67
▸ ALDH2 P05091 5/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ HPGD P15428 4/20 0.67
▸ TP53 P04637 3/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ HDAC6 Q9UBN7 2/20 0.67
▸ CA12 O43570 1/20 0.67
▸ AKR1B10 O60218 1/20 0.67
▸ LMNA P02545 1/20 0.67

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
Daidzein SCHEMBL29374778 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9AHSD17B10
Daidzein SCHEMBL19814 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9AHSD17B10
Daidzein SCHEMBL21114371 0.82 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL11553593 0.80 ALDH1A1 (0.45) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL2107261 0.80 ALDH2 (0.57) MAOAMAOBALDH2XDH
SCHEMBL2360888 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL2549643 0.77 KDM4E (0.83) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL30432969 0.77 KDM4E (0.83) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL4683689 0.77 KDM4E (1.00) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL12289059 0.77 KDM4E (0.83) KDM4EALDH1A1NPC1RAB9AHSD17B10

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US claimed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US claimed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 — — EP claimed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 — — US claimed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 — — US claimed
CN-102869255-A Novel S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-01-09 — — CN claimed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 — — EP claimed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US claimed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — WO claimed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — WO disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS 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 (3 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-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR KDM4E 2028/4885ALDH1A1 344/4885NPC1 2185/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR KDM4E 2028/4885ALDH1A1 344/4885NPC1 2185/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR KDM4E 2028/4885ALDH1A1 344/4885NPC1 2185/4885

“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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