SCHEMBL505291

SCHEMBL505291

COC(=O)c1cc(C)cc(NC(=O)c2c(F)c(F)c(-c3ccc(C(C)(C)O[SiH2]C(C)(C)C)cc3)c(F)c2F)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 9/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 3/20 0.32
CFTR P13569 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 2/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LMNA P02545 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL505475 0.79 ALDH1A1 (0.35) CISD2TP53HTTDHODHMAPT
SCHEMBL505290 0.78 HTT (0.36) CISD2NPSR1TP53HTTTDP1
SCHEMBL505260 0.74 DHODH (0.56) DHODH
SCHEMBL505486 0.72 DHODH (0.34) DHODH
SCHEMBL536038 0.64 MEN1 (0.31) MAPTALDH1A1HPGDGAA
SCHEMBL28835940 0.63 SLC6A2 (0.47) NPSR1HTTTDP1MAPTKDM4E
SCHEMBL14920105 0.63 MAPT (0.47) TDP1MAPTALDH1A1LMNARAB9A
SCHEMBL6118859 0.61 KDM4E (0.49) MAPTCFTRKDM4EALDH1A1HPGD
SCHEMBL6118855 0.61 KDM4E (0.55) TDP1MAPTCFTRKDM4EALDH1A1
SCHEMBL29936733 0.59 CNR2 (0.54) CISD2TDP1MAPTMAPK1ALDH1A1

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 5 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
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
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 CISD2 1031/4885NPSR1 3850/4885TP53 982/4885

“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.