SCHEMBL4454473

SCHEMBL4454473

CS(=O)(=O)c1ccc(-n2ncc(C(=O)NC(=N)N)c2C2CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 1/20 0.39
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
KEAP1 Q14145 5/20 0.38
NFE2L2 Q16236 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
Hydrochloric Acid SCHEMBL6312762 0.99 TP53 (0.39) TP53THRBCNR1CNR2SLC9A1
SCHEMBL4454362 0.92 MEN1 (0.39) TP53THRBSLC9A1SLC9A2KEAP1
Hydrochloric Acid SCHEMBL6315706 0.91 MEN1 (0.38) TP53THRBSLC9A1SLC9A2KEAP1
SCHEMBL4455122 0.91 KEAP1 (0.41) TP53THRBCNR1CNR2SLC9A1
Hydrochloric Acid SCHEMBL6319207 0.90 KEAP1 (0.40) TP53THRBCNR1CNR2SLC9A1
Hydrochloric Acid SCHEMBL6314734 0.89 MAPK14 (0.41) TP53THRBCNR1CNR2SLC9A1
SCHEMBL6492002 0.87 SMN1; SMN2 (0.39) SLC9A1SLC9A2KEAP1NFE2L2MEN1
SCHEMBL5261470 0.86 TP53 (0.41) TP53THRBMEN1KMT2AGPBAR1
Hydrochloric Acid SCHEMBL6313172 0.85 CNR1 (0.51) TP53THRBCNR1CNR2SLC9A1
SCHEMBL6311498 0.85 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP claimed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US claimed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP claimed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US claimed
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors PFIZER INC. 2003-11-13 US claimed
US-20030212072-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2003-11-13 US claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
CN-1374967-A Compounds for the treatment of ischemia PFIZER PROD INC (US) 2002-10-16 CN claimed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN claimed
EP-1226830-A2 Combination therapy involving a sodium-hydrogen exchanger type 1 or NHE-1 inhibitor for use in treatment of ischemia Pfizer Products Inc. (US) 2002-07-31 EP claimed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US claimed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US claimed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US claimed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R TP53 4547/4885THRB 271/4885CNR1 349/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 TP53 4691/4885THRB 2535/4885CNR1 2790/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 TP53 4751/4885THRB 1790/4885CNR1 2370/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 TP53 4700/4885THRB 243/4885CNR1 201/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 TP53 4592/4885THRB 3529/4885CNR1 1542/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 TP53 4847/4885THRB 3072/4885CNR1 2730/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 TP53 4706/4885THRB 1360/4885CNR1 2890/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 TP53 4691/4885THRB 2535/4885CNR1 2790/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 TP53 4575/4885THRB 249/4885CNR1 301/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 TP53 3427/4885THRB 2414/4885CNR1 1549/4885

“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.