SCHEMBL5361880

SCHEMBL5361880

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.74
HDAC6 Q9UBN7 1/20 0.74
KMT2A Q03164 2/20 0.70
FTO Q9C0B1 1/20 0.70
GAA P10253 6/20 0.68
CYP2C9 P11712 2/20 0.68
ALPL P05186 1/20 0.68
ALPI P09923 1/20 0.68
ALPG P10696 1/20 0.68
THRB P10828 1/20 0.67
LMNA P02545 1/20 0.67
HIF1A Q16665 1/20 0.67
ROCK2 O75116 1/20 0.65
ROCK1 Q13464 1/20 0.65
ALDH1A1 P00352 2/20 0.64
CYP2C19 P33261 1/20 0.64
APP P05067 1/20 0.63
HCAR3 P49019 1/20 0.63
HCAR2 Q8TDS4 1/20 0.63
CYP3A4 P08684 1/20 0.63

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
SCHEMBL5361922 0.94 GAA (0.77) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL18136526 0.92 HDAC1 (0.65) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL13381471 0.92 ALDH1A1 (0.70) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL22341320 0.92 FTO (0.67) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL18136525 0.91 KMT2A (0.63) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL1019295 0.88 HDAC1 (0.65) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL2988299 0.88 HDAC1 (0.65) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL13381489 0.88 KMT2A (0.68) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL5218533 0.88 GAA (0.70) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL255625 0.88 CA1 (0.65) HDAC1HDAC6KMT2AFTOGAA

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 21 patents — showing the first 20. 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
EP-1222171-B1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF TORRENT PHARMACEUTICALS LTD (IN) 2004-02-25 EP disclosed
US-6624178-B2 Novel compounds of the pyridinium series useful for the management of diabetes and aging-related vascular complications, including kidney disease, nerve damage, atherosclerosis, retinopathy, dermatological disorders and TORRENT PHARMACEUTICALS LTD. (IN) 2003-09-23 US 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
US-6462057-B1 SUCH AS 1-(2-ETHOXY-2-OXOETHYL)-3-(METHANESULFONYLHYDRAZINO-CARBONYL)PYRIDINIUM BROMIDE; KIDNEY DISEASE, NERVE DAMAGE, ATHEROSCLEROSIS, RETINOPATHY, DERMATOLOGICAL DISORDERS AND DISCOLORATION OF TEETH TORRENT PHARMACEUTICALS, LTD. (IN) 2002-10-08 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
EP-1222171-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Torrent Pharmaceuticals Ltd (IN) 2002-07-17 EP 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
WO-2001025208-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANKARANARAYANAN ALANGUDI (IN) 2001-04-12 WO 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 HDAC1 1552/4885HDAC6 3417/4885KMT2A 4629/4885
US-20030032660-A1 Breaking preformed AGE AGER, GPX1, RBP1 HDAC1 2199/4885HDAC6 4143/4885KMT2A 4457/4885
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 HDAC1 2442/4885HDAC6 3213/4885KMT2A 3310/4885
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 HDAC1 1962/4885HDAC6 2348/4885KMT2A 3588/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP HDAC1 2175/4885HDAC6 2632/4885KMT2A 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 HDAC1 2212/4885HDAC6 2340/4885KMT2A 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.