SCHEMBL506154

SCHEMBL506154

O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.67
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
SCD O00767 5/20 0.46
FADS1 O60427 1/20 0.46
ACMSD Q8TDX5 1/20 0.46

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
SCHEMBL536113 0.91 DHODH (0.58) DHODHHDAC6KDM4ERAB9A
SCHEMBL536111 0.90 DHODH (0.59) DHODHHDAC6KDM4ERAB9AACMSD
SCHEMBL6840296 0.90 RAB9A (0.56) DHODHKDM4ERAB9A
SCHEMBL505582 0.88 DHODH (0.64) DHODHKDM4E
SCHEMBL505378 0.88 DHODH (0.69) DHODHHDAC6KDM4ERAB9AACMSD
SCHEMBL505990 0.87 DHODH (0.57) DHODHHDAC6KDM4EACMSD
SCHEMBL6840235 0.85 TNKS (0.54) DHODHKDM4ERAB9A
SCHEMBL696548 0.85 DHODH (0.56) DHODHKDM4ERAB9A
SCHEMBL505255 0.83 DHODH (0.69) DHODHHDAC6SCDFADS1
SCHEMBL15958954 0.81 PARP1 (0.62) DHODHKDM4ERAB9A

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 9 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
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
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 1/4885HDAC6 1593/4885KDM4E 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.