SCHEMBL5143899

SCHEMBL5143899

CCOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 2/20 0.63
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
S1PR4 O95977 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
HTT P42858 2/20 0.56
ESR2 Q92731 1/20 0.56
KDM4E B2RXH2 2/20 0.51
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL17066377 0.87 S1PR4 (0.60) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL8596386 0.84 S1PR4 (0.58) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL27867259 0.83 KMT2A (0.56) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL4555887 0.83 NPC1 (0.59) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL8437 0.82 HTT (0.55) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL3142475 0.82 S1PR4 (0.63) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL6427203 0.80 S1PR4 (0.60) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL12880437 0.80 S1PR4 (0.56) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL28403783 0.79 S1PR4 (0.53) NPC1RAB9AKMT2AMEN1S1PR4
SCHEMBL8149292 0.79 ALDH1A1 (0.53) NPC1RAB9AKMT2AMEN1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-11826435-B2 Conduritol aziridine derivatives and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-11-28 US disclosed
CN-116589399-A Preparation method of 3-methoxy-2-nitropyridine 济南大学 2023-08-15 CN disclosed
CN-107406494-B Novel PD-L1 binding polypeptides for imaging 百时美施贵宝公司 2022-03-25 CN disclosed
US-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 US disclosed
US-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 US disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
EP-2940000-B1 PROCESS FOR PREPARING METHYL ACETATE DALIAN INST CHEMICAL PHYSICS CAS (CN) 2017-10-18 EP disclosed
US-9440226-B2 Method for preparing methyl acetate DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-13 US disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 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 (2 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-11826435-B2 Conduritol aziridine derivatives and uses thereof GAA, MAN2B1, GBA3 NPC1 492/4885RAB9A 196/4885KMT2A 4103/4885
US-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation NBAS, PFAS, PCBP1 NPC1 813/4885RAB9A 3414/4885KMT2A 2534/4885

“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.