SCHEMBL1289610

SCHEMBL1289610

COc1ccc2nc(Cl)cc(N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.51
▸ ACHE P22303 4/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ GRIN1 Q05586 3/20 0.50
▸ GRIN2A Q12879 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ APP P05067 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ NQO2 P16083 1/20 0.48
▸ NCF1 P14598 1/20 0.47
▸ HSP90AA1 P07900 2/20 0.47
▸ HSP90AB1 P08238 2/20 0.47
▸ PIM3 Q86V86 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL29420513 0.83 SMN1; SMN2 (0.48) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL830265 0.83 SMN1; SMN2 (0.48) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL2531203 0.81 POLB (0.62) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL437286 0.81 HSD17B10 (0.71) HSD17B10ALDH1A1CASP1CASP7NQO2
SCHEMBL2539829 0.81 KDM4E (0.60) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL27588454 0.80 HSD17B10 (0.49) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL1289627 0.80 KDM4E (0.46) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL6559877 0.77 HTR6 (0.49) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL12285138 0.77 KDM4E (0.55) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL23412192 0.77 NCF1 (0.56) BCHEACHECHRM1GRIN1GRIN2A

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 28 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-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-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 — — WO 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 BCHE 2163/4885ACHE 1430/4885CHRM1 1883/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR BCHE 2234/4885ACHE 3104/4885CHRM1 2507/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 BCHE 2163/4885ACHE 1430/4885CHRM1 1883/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR BCHE 2234/4885ACHE 3104/4885CHRM1 2507/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 BCHE 2163/4885ACHE 1430/4885CHRM1 1883/4885
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR BCHE 2234/4885ACHE 3104/4885CHRM1 2507/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR BCHE 2234/4885ACHE 3104/4885CHRM1 2507/4885

“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.

Send feedback