SCHEMBL4774237

SCHEMBL4774237

COCc1cc(C#N)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2A6 P11509 2/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 2/20 0.34
ALK Q9UM73 1/20 0.33

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
SCHEMBL500818 0.87 SLC6A4 (0.34) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL21241616 0.84 CACNA1G (0.41) KDM4ESLC6A4KCNH2HTR2AMEN1
SCHEMBL534995 0.84 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4ESLC6A4
SCHEMBL17923727 0.83 SLC6A4 (0.35) ALDH1A1SLC6A4KCNH2SLC6A3HTR2A
SCHEMBL1715050 0.82 IDO1 (0.48) SLC6A4KCNH2SLC6A3MEN1TTR
SCHEMBL20607875 0.80 KDM4E (0.35) ALDH1A1HPGDHSD17B10KDM4ESLC6A4
SCHEMBL2934457 0.79 CYP2A6 (0.47) ALDH1A1EGLN2CYP2A6MEN1TTR
SCHEMBL1232549 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL21891006 0.79 SLC6A4 (0.49) ALDH1A1KDM4ESLC6A4KCNH2SLC6A3
SCHEMBL18216640 0.79 MPO (0.40) ALDH1A1HPGDHSD17B10KDM4EGAA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948034-A Novel peptide-based nitrile compound and application thereof 上海壹迪生物技术有限公司 2025-05-06 CN disclosed
CN-117964637-A Novel peptide-based nitrile compound and application thereof 上海壹迪生物技术有限公司 2024-05-03 CN disclosed
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 EP 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
CN-1149196-C Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists ����˹�ж�-����˹˹������˾ 2004-05-12 CN 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
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 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 (3 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 1854/4885HPGD 2415/4885HSD17B10 2042/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885HPGD 2415/4885HSD17B10 2042/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885HPGD 2415/4885HSD17B10 2042/4885

“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.