SCHEMBL5065370

SCHEMBL5065370

COC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.74
HPGD P15428 2/20 0.62
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GPR55 Q9Y2T6 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
WNK1 Q9H4A3 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
OPRK1 P41145 1/20 0.52
TP53 P04637 1/20 0.52
VCAM1 P19320 1/20 0.51
YAP1 P46937 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL5838082 0.96 HCAR3 (0.76) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL23970849 0.94 HCAR3 (0.75) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL22725401 0.90 HCAR3 (0.60) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL22725418 0.89 HCAR3 (0.68) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL7179451 0.89 HCAR3 (0.68) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL7179457 0.89 HCAR3 (0.68) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL2027705 0.88 HCAR3 (0.68) HCAR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL15320045 0.88 HCAR3 (0.68) HCAR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL15321173 0.88 HCAR3 (0.68) HCAR3HPGDALDH1A1LMNAMEN1
SCHEMBL32660016 0.88 HCAR3 (0.68) HCAR3HPGDALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-24 US disclosed
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-05-09 US disclosed
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-03-19 US disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
WO-2013152039-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-10 WO disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
EP-1631554-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2006-03-08 EP disclosed
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives SMITHKLINE BEECHAM CORPORATION 2005-07-14 US disclosed
WO-2004108687-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-12-16 WO disclosed
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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 (9 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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 HCAR3 3867/4885HPGD 2982/4885ALDH1A1 3657/4885
US-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 HCAR3 1973/4885HPGD 1108/4885ALDH1A1 102/4885
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 HCAR3 783/4885HPGD 776/4885ALDH1A1 1311/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 HCAR3 904/4885HPGD 516/4885ALDH1A1 897/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 HCAR3 783/4885HPGD 776/4885ALDH1A1 1311/4885
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 HCAR3 783/4885HPGD 776/4885ALDH1A1 1311/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 HCAR3 3867/4885HPGD 2982/4885ALDH1A1 3657/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 HCAR3 783/4885HPGD 776/4885ALDH1A1 1311/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 HCAR3 1973/4885HPGD 1108/4885ALDH1A1 102/4885

“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.