SCHEMBL4452237

SCHEMBL4452237

CCCc1c(C(=O)NC(=N)N)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 4/20 0.42
GAA P10253 2/20 0.42
MAPK14 Q16539 7/20 0.42
LMNA P02545 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL6321915 0.94 MAPT (0.45) ALDH1A1POLBMAPTMAPK1GAA
SCHEMBL5263394 0.93 ALDH1A1 (0.39) ALDH1A1POLBMAPTMAPK1GAA
SCHEMBL4458512 0.92 MALT1 (0.43) LMNA
Hydrochloric Acid SCHEMBL6313508 0.91 MALT1 (0.42) LMNA
SCHEMBL7359681 0.89 MALT1 (0.47) MAPTGAA
SCHEMBL6321469 0.85 NAMPT (0.42) ALDH1A1POLBMAPTGAALMNA
SCHEMBL6319630 0.84 ALDH1A1 (0.41) ALDH1A1POLBMAPTMAPK1GAA
Hydrochloric Acid SCHEMBL6313151 0.84 NAMPT (0.41) ALDH1A1POLBMAPTGAALMNA
SCHEMBL6312734 0.84 NR4A3 (0.49) ALDH1A1POLBMAPTMAPK1GAA
Hydrochloric Acid SCHEMBL6313446 0.84 SLC9A1 (0.46) ALDH1A1LMNA

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 56 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
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-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 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-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-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US claimed
WO-2015189236-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING CD95-MEDIATED CELL MOTILITY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-12-17 WO disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
US-6294538-B1 ANTIDIABETIC AGENTS AND DIABETIC NEUROPATHY, TREATMENT WITH OXIDOREDUCTASE ENZYMES PFIZER INC. 2001-09-25 US disclosed
EP-1041068-A1 Compounds for treating and preventing diabetic complications Pfizer Products Inc. (US) 2000-10-04 EP 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 (8 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-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 ALDH1A1 257/4885POLB 3589/4885MAPT 256/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 ALDH1A1 1352/4885POLB 4458/4885MAPT 3477/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ALDH1A1 378/4885POLB 2114/4885MAPT 4649/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 ALDH1A1 25/4885POLB 4044/4885MAPT 2399/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 ALDH1A1 642/4885POLB 2803/4885MAPT 4418/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 ALDH1A1 257/4885POLB 3589/4885MAPT 256/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 ALDH1A1 25/4885POLB 4044/4885MAPT 2399/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ALDH1A1 1085/4885POLB 2299/4885MAPT 4477/4885

“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.