SCHEMBL505294

SCHEMBL505294

COC(=O)c1cc(OC)cc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
MAPK1 P28482 2/20 0.57
PKM P14618 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
G6PD P11413 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL505279 0.86 MAPT (0.59) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL13280155 0.84 PDGFRB (0.49) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL31305165 0.84 PDGFRB (0.49) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL221958 0.83 ALDH1A1 (0.46) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL1734996 0.83 TDP1 (0.45) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL505591 0.83 PDGFRB (0.48) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL11066620 0.83 ALDH1A1 (0.67) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL505205 0.82 TDP1 (0.47) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL28723015 0.82 ALDH1A1 (0.45) KDM4EMAPTMAPK1PKMMEN1
SCHEMBL505648 0.82 ALDH1A1 (0.45) KDM4EMAPTMAPK1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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 (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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KDM4E 806/4885MAPT 3410/4885MAPK1 3576/4885

“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.