SCHEMBL4773225

SCHEMBL4773225

CCCc1cc(C#N)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH4 Q9H3N8 2/20 0.40
CYP2A6 P11509 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
EGLN2 Q96KS0 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
SCHEMBL4767252 0.89 TSHR (0.42) MEN1KMT2AHRH4CYP2A6TSHR
SCHEMBL15721486 0.88 TSHR (0.49) MEN1KMT2ACYP2A6TSHRHSD17B10
SCHEMBL2934457 0.85 CYP2A6 (0.47) MEN1KMT2ACYP2A6ABCC9ABCC8
SCHEMBL27455430 0.83 GSK3B (0.39) MEN1KMT2ACYP2A6TTRALB
SCHEMBL20482939 0.81 MEN1 (0.39) MEN1KMT2ATTRALBCYP19A1
SCHEMBL17923727 0.81 SLC6A4 (0.35) MEN1KMT2ACYP2A6TTRALB
SCHEMBL19410044 0.81 LOXL2 (0.38) MEN1KMT2ACYP2A6ABCC9ABCC8
SCHEMBL4769657 0.81 ALOX5AP (0.35) MEN1KMT2AHRH4CYP2A6ABCC9
SCHEMBL12663273 0.79 CYP2A6 (0.45) MEN1KMT2AHRH4CYP2A6TSHR
SCHEMBL10366101 0.79 MEN1 (0.44) MEN1KMT2AHRH4CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3697/4885KMT2A 1010/4885HRH4 121/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MEN1 3697/4885KMT2A 1010/4885HRH4 121/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MEN1 3697/4885KMT2A 1010/4885HRH4 121/4885

“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.