SCHEMBL505990

SCHEMBL505990

O=C(O)c1cccc2nc(-c3ccc(-c4ccc(F)cc4F)cc3)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.57
TTR P02766 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DHFR P00374 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
HMGB1 P09429 1/20 0.48
HPGD P15428 1/20 0.48
CXCL12 P48061 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR4A2 P43354 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
SCHEMBL505906 0.92 DHODH (0.58) DHODHTTRKDM4EMEN1USP2
SCHEMBL6840235 0.88 TNKS (0.54) DHODHKDM4EMEN1ALDH1A1LMNA
SCHEMBL506154 0.87 DHODH (0.67) DHODHKDM4EACMSDHDAC6
SCHEMBL536111 0.85 DHODH (0.59) DHODHKDM4EALDH1A1HPGDACMSD
SCHEMBL504976 0.84 DHODH (0.67) DHODHNR4A2
SCHEMBL505568 0.84 DHODH (0.70) DHODHTTRKDM4EMEN1USP2
SCHEMBL536113 0.83 DHODH (0.58) DHODHKDM4EALDH1A1HPGDKMT2A
SCHEMBL505378 0.83 DHODH (0.69) DHODHKDM4EALDH1A1ACMSDHDAC6
SCHEMBL505582 0.83 DHODH (0.64) DHODHTTRKDM4EALDH1A1HPGD
SCHEMBL6840189 0.83 PIN1 (0.58) DHODHKDM4EALDH1A1HPGD

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
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
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 DHODH 1/4885TTR 3466/4885KDM4E 806/4885

“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.