SCHEMBL5358937

SCHEMBL5358937

O=C(NCCOC(=O)c1ccccc1)c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.81
KMT2A Q03164 4/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
MEN1 O00255 3/20 0.73
CYP3A4 P08684 2/20 0.73
CYP1A2 P05177 1/20 0.73
ALDH1A1 P00352 4/20 0.73
CYP2C9 P11712 3/20 0.73
CYP2C19 P33261 3/20 0.73
MAPT P10636 2/20 0.73
PKM P14618 1/20 0.73
RXFP1 Q9HBX9 2/20 0.72
LMNA P02545 2/20 0.70
POLB P06746 1/20 0.68
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
EPHX2 P34913 2/20 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
SCHEMBL29447171 0.94 USP2 (0.80) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL21082057 0.86 KMT2A (0.62) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL18412261 0.85 KMT2A (0.68) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL13100724 0.85 HPGD (0.74) USP2KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11520668 0.85 USP2 (0.82) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL4143110 0.84 KMT2A (1.00) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL5363082 0.84 LMNA (0.71) USP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL1116738 0.82 KMT2A (0.76) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL29634495 0.82 KMT2A (0.76) USP2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL14174938 0.82 KMT2A (0.76) USP2KMT2ASMN1; SMN2MEN1CYP3A4

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 14 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-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 (5 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 USP2 3868/4885KMT2A 4629/4885SMN1; SMN2 1818/4885
US-20030032660-A1 Breaking preformed AGE AGER, GPX1, RBP1 USP2 4353/4885KMT2A 4457/4885SMN1; SMN2 1658/4885
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 USP2 3762/4885KMT2A 3588/4885SMN1; SMN2 4239/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP USP2 3722/4885KMT2A 3459/4885SMN1; SMN2 2608/4885
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 USP2 3536/4885KMT2A 3499/4885SMN1; SMN2 4474/4885

“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.