SCHEMBL1289701

SCHEMBL1289701

COc1ccc2nc(-c3ccc(-c4nc(O)no4)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 5/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NQO1 P15559 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL1289649 0.83 ESR1 (0.67) NPC1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4486496 0.81 KDM4E (0.70) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21282172 0.78 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14500755 0.77 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21282193 0.76 KDM4E (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30228591 0.76 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30228475 0.75 KDM4E (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5682765 0.75 KDM4E (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21282179 0.75 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL21282219 0.75 RAB9A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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 25 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
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-9221810-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-12-29 — — US disclosed
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2015-03-19 — — US 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
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 (8 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 NPC1 1664/4885RAB9A 2639/4885ALDH1A1 290/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NPC1 1497/4885RAB9A 3436/4885ALDH1A1 329/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NPC1 1664/4885RAB9A 2639/4885ALDH1A1 290/4885
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NPC1 1664/4885RAB9A 2639/4885ALDH1A1 290/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NPC1 1497/4885RAB9A 3436/4885ALDH1A1 329/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 NPC1 1664/4885RAB9A 2639/4885ALDH1A1 290/4885
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NPC1 1497/4885RAB9A 3436/4885ALDH1A1 329/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR NPC1 1497/4885RAB9A 3436/4885ALDH1A1 329/4885

“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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