SCHEMBL5065680

SCHEMBL5065680

COC(=O)c1ccc(NC2CCCCC2)c(N)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.77
YAP1 P46937 1/20 0.55
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 4/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
ATM Q13315 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CHEK1 O14757 1/20 0.49
NTRK1 P04629 1/20 0.49
MET P08581 1/20 0.49
PIM1 P11309 1/20 0.49

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
SCHEMBL27218080 0.99 ALOX15 (0.74) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL5836935 0.96 ALOX15 (0.70) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL23971034 0.93 ALOX15 (0.66) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL21310999 0.88 ALOX15 (0.60) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL7188680 0.88 ALOX15 (0.60) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL7188685 0.88 ALOX15 (0.60) ALOX15YAP1KDM4ESMN1; SMN2NPC1
SCHEMBL2032512 0.87 ALOX15 (1.00) ALOX15YAP1NPC1RAB9AMAPT
SCHEMBL15321351 0.87 ALOX15 (1.00) ALOX15YAP1NPC1RAB9AMAPT
SCHEMBL15319744 0.87 ALOX15 (1.00) ALOX15YAP1NPC1RAB9AMAPT
SCHEMBL15320214 0.87 ALOX15 (1.00) ALOX15YAP1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 US disclosed
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 US disclosed
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 US disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 EP disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 EP disclosed
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-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-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-09-26 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 (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-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 ALOX15 1680/4885YAP1 4248/4885KDM4E 4008/4885
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 93/4885YAP1 2396/4885KDM4E 3002/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 ALOX15 3147/4885YAP1 4569/4885KDM4E 2235/4885
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885YAP1 2580/4885KDM4E 3174/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885YAP1 2604/4885KDM4E 3253/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 ALOX15 1680/4885YAP1 4248/4885KDM4E 4008/4885
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 92/4885YAP1 2580/4885KDM4E 3174/4885

“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.