SCHEMBL5361922

SCHEMBL5361922

O=C(NNC(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.77
CYP2C9 P11712 2/20 0.77
ALPL P05186 1/20 0.77
ALPI P09923 1/20 0.77
ALPG P10696 1/20 0.77
FTO Q9C0B1 1/20 0.69
ALDH1A1 P00352 3/20 0.68
CYP2C19 P33261 1/20 0.68
CYP3A4 P08684 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
KCNK3 O14649 1/20 0.66
KMT2A Q03164 2/20 0.64
NAMPT P43490 1/20 0.64
PLOD2 O00469 1/20 0.62
APP P05067 1/20 0.62
HCAR3 P49019 1/20 0.62
HCAR2 Q8TDS4 1/20 0.62
PTGS2 P35354 1/20 0.61
THRB P10828 1/20 0.61

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
SCHEMBL5361880 0.94 HDAC1 (0.74) GAACYP2C9ALPLALPIALPG
SCHEMBL22341320 0.91 FTO (0.67) GAACYP2C9ALPLALPIALPG
SCHEMBL13381471 0.91 ALDH1A1 (0.70) GAACYP2C9ALPLALPIALPG
SCHEMBL29011921 0.89 GAA (0.71) GAACYP2C9ALPLALPIALPG
SCHEMBL18136526 0.87 HDAC1 (0.65) GAACYP2C9ALPLALPIALPG
Benzene SCHEMBL6640032 0.86 CYP3A4 (0.68) GAACYP2C9ALPLALPIALPG
SCHEMBL11832072 0.86 PTGS2 (0.68) GAACYP2C9ALPLALPIALPG
SCHEMBL5218533 0.86 GAA (0.70) GAACYP2C9ALPLALPIALPG
SCHEMBL31006498 0.86 PTGS2 (0.68) GAACYP2C9ALPLALPIALPG
SCHEMBL13381489 0.86 KMT2A (0.68) GAACYP2C9ALPLALPIALPG

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 16 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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 GAA 829/4885CYP2C9 3545/4885ALPL 1059/4885
US-20030032660-A1 Breaking preformed AGE AGER, GPX1, RBP1 GAA 1720/4885CYP2C9 2584/4885ALPL 496/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX GAA 2000/4885CYP2C9 208/4885ALPL 1633/4885
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 GAA 124/4885CYP2C9 1091/4885ALPL 2351/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP GAA 1762/4885CYP2C9 591/4885ALPL 727/4885
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 GAA 98/4885CYP2C9 1170/4885ALPL 2016/4885

“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.