SCHEMBL1289625

SCHEMBL1289625

N#Cc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.76
▸ ESR2 Q92731 14/20 0.76
▸ ESRRB O95718 7/20 0.76
▸ ESRRA P11474 7/20 0.76
▸ MMP3 P08254 1/20 0.45
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43

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
SCHEMBL3936450 0.87 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL1289666 0.83 ESR1 (0.62) ESR1ESR2ESRRBESRRAMMP3
SCHEMBL6534483 0.82 ESR1 (0.84) ESR1ESR2ESRRBESRRA
SCHEMBL1289553 0.80 ACP1 (0.56) ESR1ESR2ESRRBESRRA
SCHEMBL1289555 0.79 ESR1 (0.78) ESR1ESR2ESRRBESRRA
SCHEMBL3934577 0.77 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL1289664 0.77 ESR1 (0.73) ESR1ESR2ESRRBESRRAMMP3
SCHEMBL3929956 0.75 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL3923804 0.75 ESR1 (0.76) ESR1ESR2ESRRBESRRA
SCHEMBL1289605 0.74 ESR1 (0.68) ESR1ESR2ESRRBESRRA

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 26 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-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 ESR1 1623/4885ESR2 1052/4885ESRRB 786/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885ESRRB 552/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885ESRRB 786/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885ESRRB 552/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885ESRRB 786/4885
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885ESRRB 552/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885ESRRB 552/4885

“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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