SCHEMBL1289488

SCHEMBL1289488

O=C(O)C1CCN(c2ccc3cc(O)ccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
RHOA P61586 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MAP2K7 O14733 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PPARG P37231 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 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
SCHEMBL29830406 0.90 HRH3 (0.46) HRH3LMNAHTTRHOAKDM4E
SCHEMBL23602948 0.90 HRH3 (0.46) HRH3LMNAHTTRHOAKDM4E
SCHEMBL29830242 0.87 KDM4E (0.45) HRH3LMNAHTTRHOAKDM4E
SCHEMBL23602953 0.87 KDM4E (0.45) HRH3LMNAHTTRHOAKDM4E
SCHEMBL24844621 0.85 HRH3 (0.62) HRH3LMNAHTTKDM4EHSD17B10
SCHEMBL17091598 0.83 HRH3 (0.45) HRH3LMNANPSR1ALDH1A1PMP22
SCHEMBL24844567 0.82 HRH3 (0.65) HRH3LMNAHTTKDM4EHSD17B10
SCHEMBL31741446 0.82 HRH3 (0.65) HRH3LMNAHTTKDM4EHSD17B10
SCHEMBL28803641 0.82 HRH3 (0.58) HRH3LMNAHTTKDM4EHSD17B10
SCHEMBL23602951 0.81 HRH3 (0.46) HRH3LMNAHTTRHOAKDM4E

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 82 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 claimed
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis NIVALIS THERAPEUTICS, INC. 2017-10-05 US claimed
EP-3204010-A1 METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Nivalis Therapeutics, Inc. (US) 2017-08-16 EP claimed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 US claimed
US-9433618-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-09-06 US claimed
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-08-04 US claimed
WO-2016057811-A1 METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS NIVALIS THERAPEUTICS, INC. (US) 2016-04-14 WO claimed
EP-2624695-B1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2015-09-23 EP claimed
US-9139528-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2015-03-19 US claimed
US-8921562-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-12-30 US claimed
EP-2624695-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-08-14 EP claimed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 US claimed
CN-103200820-A Novel substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-07-10 CN claimed
WO-2012048181-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-04-12 WO claimed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 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
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 (5 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 HRH3 3554/4885LMNA 4379/4885HTT 1977/4885
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis GSR, CBS, CTH HRH3 3639/4885LMNA 4166/4885HTT 4233/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 HRH3 3554/4885LMNA 4379/4885HTT 1977/4885
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 HRH3 3554/4885LMNA 4379/4885HTT 1977/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 HRH3 3554/4885LMNA 4379/4885HTT 1977/4885

“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.