SCHEMBL2934457

SCHEMBL2934457

CCc1cc(C#N)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
EGLN2 Q96KS0 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
TRPV4 Q9HBA0 1/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GSK3B P49841 2/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SETDB1 Q15047 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL4773225 0.85 MEN1 (0.43) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL8874836 0.84 CYP2A6 (0.47) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL534995 0.82 ALDH1A1 (0.41) CYP2A6EGLN2TRPV4MEN1TTR
SCHEMBL4767252 0.82 TSHR (0.42) CYP2A6MEN1TTRALBKMT2A
SCHEMBL1232330 0.82 MEN1 (0.39) CYP2A6MEN1TTRALBKMT2A
SCHEMBL13824727 0.81 CYP2A6 (0.52) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL19410044 0.80 LOXL2 (0.38) CYP2A6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15721486 0.80 TSHR (0.49) CYP2A6MEN1KMT2AALDH1A1
SCHEMBL16960983 0.80 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL500133 0.80 MEN1 (0.42) MEN1TTRALBKMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708163-A1 USE OF SPARSENTAN FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Ligand Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
US-10287286-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-14 US disclosed
US-9993461-B2 Method for treating disorders associated with glomerular function LIGAND PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20180072714-A1 Novel Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 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-3222277-A1 A DIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR ANTAGONISTS TO TREATGLOMERULOSCLEROSIS Ligand Pharmaceuticals Inc. (US) 2017-09-27 EP disclosed
US-9662312-B2 Method for treating glomerulosclerosis LIGAND PHARMACEUTICALS INC. (US) 2017-05-30 US disclosed
US-20150164865-A1 ORAL FORMULATIONS OF DIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR AGONISTS TO TREAT ELEVATED BLOOD PRESSURE AND DIABETIC NEPHROPATHY CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-06-18 US disclosed
US-20140142149-A1 ORAL FORMULATIONS OF DIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR AGONISTS TO TREAT ELEVATED BLOOD PRESSURE AND DIABETIC NEPHROPATHY LIGAND PHARMACEUTICALS INC. (US) 2014-05-22 US disclosed
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (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-20180072714-A1 Novel Compounds F12, HAX1, C1S CYP2A6 125/4885EGLN2 1153/4885ABCC9 740/4885
US-20140142149-A1 ORAL FORMULATIONS OF DIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR AGONISTS TO TREAT ELEVATED BLOOD PRESSURE AND DIABETIC NEPHROPATHY AGTR2, EDNRB, EDNRA CYP2A6 731/4885EGLN2 97/4885ABCC9 532/4885
US-10287286-B2 Compounds F12, C1S, F3 CYP2A6 69/4885EGLN2 1321/4885ABCC9 332/4885
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION REN, AGTR2, AGTR1 CYP2A6 453/4885EGLN2 279/4885ABCC9 1075/4885
US-20150164865-A1 ORAL FORMULATIONS OF DIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR AGONISTS TO TREAT ELEVATED BLOOD PRESSURE AND DIABETIC NEPHROPATHY AGTR2, EDNRB, EDNRA CYP2A6 731/4885EGLN2 97/4885ABCC9 532/4885
US-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 CYP2A6 1031/4885EGLN2 2775/4885ABCC9 3262/4885

“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.