SCHEMBL1289707

SCHEMBL1289707

COc1ccc2nc(O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.62
▸ NQO1 P15559 1/20 0.59
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL22323319 0.86 KDM4E (0.50) NCF1NQO1CYP1A2CYP2A6KDM4E
SCHEMBL806266 0.78 NCF1 (0.65) NCF1NQO1CYP1A2CYP2A6HDAC3
SCHEMBL30081476 0.78 NCF1 (0.65) NCF1NQO1CYP1A2CYP2A6HDAC3
SCHEMBL5958925 0.78 NCF1 (0.51) NCF1ALDH1A1KMT2AMEN1NPC1
SCHEMBL31414248 0.77 KDM4E (0.63) NCF1NQO1CYP1A2CYP2A6KDM4E
SCHEMBL1598487 0.77 NCF1 (1.00) NCF1NQO1CYP1A2CYP2A6KDM4E
SCHEMBL6062428 0.77 NCF1 (0.62) NCF1NQO1CYP1A2CYP2A6HDAC3
SCHEMBL3974722 0.77 NCF1 (0.62) NCF1NQO1CYP1A2CYP2A6HDAC3
SCHEMBL483893 0.77 NCF1 (0.68) NCF1NQO1CYP1A2CYP2A6HDAC3
SCHEMBL873094 0.77 NCF1 (0.62) NCF1NQO1CYP1A2CYP2A6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 — — US disclosed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 — — US disclosed
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-09-29 — — US disclosed
US-9433618-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-09-06 — — US disclosed
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-08-04 — — US disclosed
US-9364481-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-06-14 — — US disclosed
US-9315462-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-04-19 — — US disclosed
CN-103200820-B As the substd quinolines compound of GSNO reductase inhibitor Nivalis Therapeutics (US) 2016-04-06 — — CN disclosed
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-03-10 — — US disclosed
EP-2977050-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS Nivalis Therapeutics, Inc. (US) 2016-01-27 — — EP disclosed
US-8921562-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors NIVALIS THERAPEUTICS, INC. 2014-11-06 — — US disclosed
US-8785643-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
EP-2651223-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 — — EP disclosed
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors NIVALIS THERAPEUTICS, INC. 2013-10-03 — — US disclosed
EP-2624695-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-08-14 — — EP disclosed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
CN-103200820-A Novel substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-07-10 — — CN disclosed
WO-2012083165-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 — — WO disclosed
WO-2012048181-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-04-12 — — 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 (7 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-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NCF1 1397/4885NQO1 6/4885CYP1A2 110/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NCF1 1446/4885NQO1 13/4885CYP1A2 69/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NCF1 1397/4885NQO1 6/4885CYP1A2 110/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NCF1 1446/4885NQO1 13/4885CYP1A2 69/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NCF1 1397/4885NQO1 6/4885CYP1A2 110/4885
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NCF1 1446/4885NQO1 13/4885CYP1A2 69/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NCF1 1446/4885NQO1 13/4885CYP1A2 69/4885

“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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