SCHEMBL6313203

SCHEMBL6313203

Cc1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 0.63
▸ EDNRB P24530 17/20 0.63
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ABCC3 O15438 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ PDE4A P27815 1/20 0.46

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
SCHEMBL6313421 0.90 EDNRA (0.66) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL6313378 0.87 EDNRA (0.63) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7946892 0.86 EDNRA (0.49) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7947366 0.85 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6314152 0.85 EDNRA (0.66) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7949184 0.83 EDNRA (0.50) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7951402 0.83 EDNRA (0.46) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7949358 0.81 EDNRA (0.59) EDNRAEDNRBKDM4ENPC1MAPT
SCHEMBL7048685 0.79 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7939795 0.78 EDNRA (0.51) EDNRAEDNRBKDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 — — US 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
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 — — EP 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-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 — — US disclosed
US-8410148-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-02 — — US disclosed
US-20120083447-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERSITY (US) 2012-04-05 — — US disclosed
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis GULATI ANIL (US) 2012-03-22 — — US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 — — US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 — — US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 — — 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-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-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 (11 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-20120083447-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRA 141/4885EDNRB 148/4885KDM4E 3799/4885
US-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 EDNRA 429/4885EDNRB 502/4885KDM4E 4229/4885
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis EDNRB, EGLN3, BDKRB2 EDNRA 4/4885EDNRB 1/4885KDM4E 1518/4885
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT EDNRA 11/4885EDNRB 7/4885KDM4E 3646/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 EDNRA 6/4885EDNRB 8/4885KDM4E 4229/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 EDNRA 2/4885EDNRB 1/4885KDM4E 2995/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 EDNRA 11/4885EDNRB 8/4885KDM4E 4453/4885
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885KDM4E 3445/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT EDNRA 11/4885EDNRB 7/4885KDM4E 3646/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT EDNRA 11/4885EDNRB 7/4885KDM4E 3646/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRA 141/4885EDNRB 148/4885KDM4E 3799/4885

“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.

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