SCHEMBL505290

SCHEMBL505290

COC(=O)c1cc(C)cc(NC(=O)c2c(F)c(F)c(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c(F)c2F)c1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
DHODH Q02127 2/20 0.33
TACR1 P25103 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL505474 0.79 TACR1 (0.38) HTTMAPTALDH1A1MAPK1TACR1
SCHEMBL505291 0.78 CISD2 (0.34) HTTTP53NPSR1TDP1MAPT
SCHEMBL505259 0.75 DHODH (0.58) DHODH
SCHEMBL505485 0.73 TACR1 (0.39) HTTTDP1MAPTDHODHTACR1
SCHEMBL536037 0.69 ADORA3 (0.34) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL9430926 0.68 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL6472720 0.66 KDM4E (0.43) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL1313112 0.64 LOXL2 (0.51) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL8128802 0.63 KDM4E (0.44) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL24571593 0.62 MAPT (0.44) NPSR1MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP 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
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 HTT 759/4885TP53 982/4885NPSR1 3850/4885

“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.