SCHEMBL1289637

SCHEMBL1289637

COc1ccc(N)c(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
DHFR P00374 2/20 0.37
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5776183 0.82 IDO1 (0.41) IDO1ADRA1ATAAR1
SCHEMBL17462532 0.82 CHRM2 (0.42) IDO1ADRA1ATAAR1MEN1MAPT
SCHEMBL5777589 0.82 IDO1 (0.41) IDO1ADRA1ATAAR1HTR2ASLC6A4
SCHEMBL22801145 0.81 CYP3A4 (0.38) IDO1ALDH1A1CYP3A4TAAR1MAPT
SCHEMBL4996802 0.80 IDO1 (0.38) IDO1ALDH1A1CYP3A4TAAR1MEN1
SCHEMBL1922648 0.80 APLNR (0.35) IDO1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5777443 0.78 IDO1 (0.38) IDO1ALDH1A1CYP3A4ADRA1ATAAR1
SCHEMBL31732451 0.78 GAA (0.43) IDO1ALDH1A1GAASMN1; SMN2HTR2A
SCHEMBL19915790 0.77 FNTA (0.34) ALDH1A1MAPTKDM4EGAASLC6A2
SCHEMBL22822209 0.76 BACE1 (0.32) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124488-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES UNIVERSITE DE CAEN NORMANDIE (FR) 2024-04-18 US disclosed
EP-4284782-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES Université de Caen Normandie (FR) 2023-12-06 EP disclosed
WO-2022162014-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES UNIVERSITE DE CAEN NORMANDIE (FR) 2022-08-04 WO disclosed
EP-4036081-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES Université de Caen Normandie (FR) 2022-08-03 EP disclosed
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-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 IDO1 1123/4885ALDH1A1 290/4885CYP3A4 180/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR IDO1 1088/4885ALDH1A1 329/4885CYP3A4 109/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 IDO1 1123/4885ALDH1A1 290/4885CYP3A4 180/4885
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 IDO1 1123/4885ALDH1A1 290/4885CYP3A4 180/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR IDO1 1088/4885ALDH1A1 329/4885CYP3A4 109/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 IDO1 1123/4885ALDH1A1 290/4885CYP3A4 180/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR IDO1 1088/4885ALDH1A1 329/4885CYP3A4 109/4885
US-20240124488-A1 AZA-CRYPTOPHANES, PROCESSES FOR PREPARATION THEREOF, AND THEIR USES TET3, AZI2, INMT IDO1 688/4885ALDH1A1 2601/4885CYP3A4 89/4885

“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.