SCHEMBL534995

SCHEMBL534995

CCOCc1cc(C#N)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV4 Q9HBA0 1/20 0.38
CYP2A6 P11509 2/20 0.37
TLR7 Q9NYK1 2/20 0.36
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 1/20 0.35
TLR8 Q9NR97 1/20 0.34
HTR2A P28223 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL20607875 0.92 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10TRPV4
SCHEMBL500818 0.85 SLC6A4 (0.34) ALDH1A1KDM4EHPGDHSD17B10TRPV4
SCHEMBL4774237 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10CYP2A6
SCHEMBL5534795 0.82 APP (0.35) MEN1TTRALBKMT2A
SCHEMBL2934457 0.82 CYP2A6 (0.47) ALDH1A1TRPV4CYP2A6MEN1TTR
SCHEMBL1715050 0.81 IDO1 (0.48) SLC6A4KCNH2SLC6A3MEN1TTR
SCHEMBL4773225 0.79 MEN1 (0.43) ALDH1A1HSD17B10CYP2A6MEN1TTR
SCHEMBL1232549 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL31314271 0.77 TRPV4 (0.46) TRPV4CYP2A6KCNH2HTR2AMEN1
SCHEMBL4767252 0.76 TSHR (0.42) HSD17B10CYP2A6TLR7SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023066348-A1 DUAL ANTAGONIST AND USE THEREOF 年衍药业(上海)有限公司 2023-04-27 WO disclosed
EP-3708163-A1 USE OF SPARSENTAN FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Ligand Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
EP-3222277-B1 A BIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR ANTAGONIST TO TREAT GLOMERULOSCLEROSIS AND IGA-INDUCED NEPHROPATHY LIGAND PHARM INC (US) 2020-02-26 EP disclosed
US-20180344705-A1 METHOD FOR TREATING CHRONIC INFLAMMATORY DISEASES LIGAND PHARMACEUTICALS INC. 2018-12-06 US disclosed
US-9993461-B2 Method for treating disorders associated with glomerular function LIGAND PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-9993461-B2 Method for treating disorders associated with glomerular function LIGAND PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2017-12-14 US disclosed
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2017-12-14 US disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
US-6852745-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-08 US disclosed
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US disclosed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 US disclosed
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 US disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 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 (5 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-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885KDM4E 1602/4885HPGD 2415/4885
US-20180344705-A1 METHOD FOR TREATING CHRONIC INFLAMMATORY DISEASES AGTR2, AGTR1, EDNRA ALDH1A1 1107/4885KDM4E 3429/4885HPGD 715/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885KDM4E 1602/4885HPGD 2415/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885KDM4E 1602/4885HPGD 2415/4885
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION REN, AGTR2, AGTR1 ALDH1A1 1720/4885KDM4E 3882/4885HPGD 1181/4885

“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.