SCHEMBL4021901

SCHEMBL4021901

CCCc1[nH]c(C(=O)O)nc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
XDH P47989 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPBWR1 P48145 1/20 0.30
EIF4A1 P60842 1/20 0.30
FBP1 P09467 1/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL5310539 0.87 LMNA (0.34) KDM4ELMNAHCAR2MAPTNPBWR1
SCHEMBL5310322 0.75 LMNA (0.37) KDM4ELMNAMAPTALDH1A1
SCHEMBL2823399 0.73 KDM4E (0.43) KDM4ELMNASMN1; SMN2HCAR2ALDH1A1
SCHEMBL667466 0.73 LMNA (0.38) KDM4ELMNAMAPT
SCHEMBL13646746 0.65 HCAR2 (0.41) KDM4ELMNAHCAR2MAPTALDH1A1
SCHEMBL2822746 0.64 HCAR2 (0.43) KDM4ELMNASMN1; SMN2HCAR2ALDH1A1
SCHEMBL4021899 0.62 ALDH1A1 (0.49) KDM4EMAPTALDH1A1
SCHEMBL2822836 0.62 LMNA (0.38) KDM4ELMNAHCAR2
SCHEMBL2823071 0.62 HSD17B10 (0.46) KDM4ELMNASMN1; SMN2HCAR2ALDH1A1
SCHEMBL4575373 0.62 MAPT (0.37) KDM4ESMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076181-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed
EP-1587529-A4 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF OSCIENT PHARMACEUTICALS CORP (US) 2009-08-12 EP disclosed
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
EP-1587529-A2 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF Oscient Pharmaceuticals Corporation (US) 2005-10-26 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed
WO-2004052304-A2 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF OSCIENT PHARMACEUTICALS CORPORATION (US) 2004-06-24 WO disclosed
EP-1290198-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-03-12 EP disclosed
WO-2001088160-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI, S.P.A. (IT) 2001-11-22 WO disclosed
EP-0991417-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-04-12 EP disclosed
EP-0986539-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-22 EP disclosed
WO-1998050058-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-12 WO disclosed
WO-1998049142-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-05 WO disclosed