SCHEMBL795867

SCHEMBL795867

O=C(O)C(c1ccc2c(c1)OCO2)C(C(=O)O)c1ccc2nsnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MAPK9 P45984 1/20 0.46
EDNRA P25101 9/20 0.45
ALDH1A1 P00352 3/20 0.44
AQP1 P29972 1/20 0.44

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
SCHEMBL8035766 0.75 PTGS1 (0.59) KDM4EKMT2AMEN1MAPK9ALDH1A1
SCHEMBL7990464 0.75 MAPK9 (0.54) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A
Hydrochloric Acid SCHEMBL11410387 0.74 PTGS1 (0.58) KDM4EKMT2AMEN1MAPK9ALDH1A1
SCHEMBL11459800 0.73 MAPK9 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A
SCHEMBL7986595 0.71 PTGS1 (0.55) KMT2AMEN1MAPK9ALDH1A1PTGS1
SCHEMBL7987319 0.71 MAPK1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29785806 0.71 MAPK9 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A
SCHEMBL22722996 0.71 MAPK9 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A
SCHEMBL4510613 0.71 MAPK9 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A
SCHEMBL1154990 0.71 MAPK9 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3708957-B2 2005-10-19 JP claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
EP-0606366-A1 SUBSTITUTED PHENSERINES AND PHENYLCARBAMATES OF (-)-ESEROLINE, (-)-N1-NORESEROLINE, AND (-)-N1-BENZYLNORESEROLINE; AS SPECIFIC INHIBITORS OF ACETYLCHOLINESTERASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-07-20 EP claimed
WO-1993006105-A1 SUBSTITUTED PHENSERINES AND PHENYLCARBAMATES OF (-)-ESEROLINE, (-)-N1-NORESEROLINE, AND (-)-N1-BENZYLNORESEROLINE; AS SPECIFIC INHIBITORS OF ACETYLCHOLINESTERASE UNITED STATES GOVERNMENT, AS REPRESENTED BY SECRET (US) 1993-04-01 WO claimed
US-10828368-B2 Therapeutic treatments using centhaquin MIDWESTERN UNIVERSITY (US) 2020-11-10 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 EP disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 US disclosed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US 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 (6 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-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 KDM4E 4229/4885MAPT 2655/4885NPC1 1505/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 KDM4E 4229/4885MAPT 2958/4885NPC1 2840/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 KDM4E 2995/4885MAPT 4604/4885NPC1 3378/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 KDM4E 4453/4885MAPT 3078/4885NPC1 2248/4885
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 KDM4E 3445/4885MAPT 4128/4885NPC1 2658/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 KDM4E 3799/4885MAPT 2875/4885NPC1 1601/4885

“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.