SCHEMBL1840451

SCHEMBL1840451

O=C(O)CNC(=O)c1cccc(C(=O)NCC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PTPRC P08575 2/20 0.58
CTSL P07711 1/20 0.58
PTPN13 Q12923 1/20 0.58
MAPT P10636 1/20 0.58
HIF1A Q16665 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.56
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
PLA2G10 O15496 1/20 0.52
CA1 P00915 2/20 0.51

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
SCHEMBL29780425 0.94 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL600772 0.89 KDM4E (0.62) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL29395845 0.89 KDM4E (0.62) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL25184674 0.88 SMN1; SMN2 (0.62) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL4910550 0.87 KDM4E (0.64) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL1285808 0.87 NPC1 (0.63) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2984329 0.87 KMT2A (0.60) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL31148337 0.87 HDAC1 (0.61) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL24990754 0.87 TP53BP1 (0.55) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC
SCHEMBL5672219 0.87 L3MBTL1 (0.66) KDM4EHPGDSMN1; SMN2ALDH1A1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
US-4018743-A Process for preparing triketoimidazolidines HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 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 (1 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM KDM4E 4120/4885HPGD 2766/4885SMN1; SMN2 4093/4885

“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.