SCHEMBL4452219

SCHEMBL4452219

NC(N)=NC(=O)c1cnn(-c2ccccc2)c1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 1.00
SLC9A2 Q9UBY0 4/20 1.00
KEAP1 Q14145 7/20 0.69
NFE2L2 Q16236 7/20 0.69
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
OPRK1 P41145 1/20 0.59
ALDH1A1 P00352 1/20 0.49
RIPK2 O43353 1/20 0.48
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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 SCHEMBL6312415 0.99 SLC9A1 (0.97) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
Hydrochloric Acid SCHEMBL6315561 0.85 SLC9A1 (0.73) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
SCHEMBL3711215 0.83 SLC9A1 (0.72) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
SCHEMBL3713091 0.83 SLC9A1 (0.72) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
SCHEMBL3713118 0.83 SLC9A1 (0.72) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
SCHEMBL3494329 0.82 NFE2L2 (1.00) SLC9A1SLC9A2KEAP1NFE2L2HSD11B1
Hydrochloric Acid SCHEMBL6319614 0.82 SLC9A1 (0.71) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
Hydrochloric Acid SCHEMBL6312015 0.82 SLC9A1 (0.71) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
Hydrochloric Acid SCHEMBL6320915 0.82 SLC9A1 (0.71) SLC9A1SLC9A2KEAP1NFE2L2OPRM1
Hydrochloric Acid SCHEMBL6321971 0.82 SLC9A1 (0.71) SLC9A1SLC9A2KEAP1NFE2L2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US claimed
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-1499317-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS Pfizer Products Inc. (US) 2005-01-26 EP 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
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
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP claimed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US claimed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 WO claimed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN 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 (7 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 SLC9A1 1320/4885SLC9A2 1706/4885KEAP1 1932/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SLC9A1 20/4885SLC9A2 42/4885KEAP1 2193/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 SLC9A1 6/4885SLC9A2 7/4885KEAP1 166/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC9A1 14/4885SLC9A2 23/4885KEAP1 173/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SLC9A1 20/4885SLC9A2 42/4885KEAP1 2193/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SLC9A1 3134/4885SLC9A2 3290/4885KEAP1 2315/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 SLC9A1 2/4885SLC9A2 13/4885KEAP1 961/4885

“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.