SCHEMBL5353554

SCHEMBL5353554

CC(=O)OC(C)OC(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 7/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL5363086 0.89 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL8605960 0.86 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL5363067 0.86 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL30827513 0.83 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL1628833 0.83 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL29458655 0.82 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Ammonia Solution, Strong SCHEMBL27461059 0.82 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL8066446 0.82 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL14351365 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL14351364 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP claimed
US-6608094-B2 Breaking preformed AGE TORRENT PHARMACEUTICALS LTD. (IN) 2003-08-19 US claimed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2007-07-19 US disclosed
US-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed
EP-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP disclosed
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP disclosed
WO-2002085897-A9 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS SANKARANARAYANAN ALANGUDI (IN) 2004-04-01 WO disclosed
US-6608094-B2 Breaking preformed AGE TORRENT PHARMACEUTICALS LTD. (IN) 2003-08-19 US disclosed
EP-1304101-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications Torrent Pharmaceuticals Ltd (IN) 2003-04-23 EP disclosed
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-03-06 US disclosed
US-20030032660-A1 Breaking preformed AGE TORRENT PHARMACEUTICALS LTD. 2003-02-13 US disclosed
EP-1243581-A1 Pyridinium compounds useful for the treatment of AGE-related diseases Torrent Pharmaceuticals Ltd (IN) 2002-09-25 EP disclosed
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 US disclosed
US-20010018524-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2001-08-30 US 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-20010018524-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof AGER, GLA, RBP1 ALDH1A1 769/4885MAPT 2944/4885KMT2A 4629/4885
US-20030032660-A1 Breaking preformed AGE AGER, GPX1, RBP1 ALDH1A1 1451/4885MAPT 2142/4885KMT2A 4457/4885
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 ALDH1A1 132/4885MAPT 4105/4885KMT2A 3588/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 484/4885MAPT 4293/4885KMT2A 1646/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP ALDH1A1 662/4885MAPT 3306/4885KMT2A 3459/4885
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 ALDH1A1 226/4885MAPT 4043/4885KMT2A 3499/4885

“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.