SCHEMBL505343

SCHEMBL505343

FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.57
PARP1 P09874 5/20 0.55
GAA P10253 6/20 0.52
MGAM O43451 5/20 0.52
SI P14410 5/20 0.52
MGAM2 Q2M2H8 5/20 0.52
DGAT1 O75907 1/20 0.52
KCNH2 Q12809 1/20 0.52
NPBWR1 P48145 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL31027935 0.85 HDAC6 (0.58) PARP1GAAMGAMSIMGAM2
SCHEMBL22452437 0.85 HDAC6 (0.58) PARP1GAAMGAMSIMGAM2
SCHEMBL8818583 0.79 PARP1 (0.63) DHODHPARP1GAAMGAMSI
SCHEMBL8818566 0.78 PARP1 (0.60) DHODHPARP1GAAMGAMSI
SCHEMBL124272 0.77 CBFB (0.68) NPC1RAB9A
SCHEMBL24067330 0.76 DHODH (0.58) DHODHPARP1GAAMGAMSI
SCHEMBL18300830 0.76 DHODH (0.56) DHODHPARP1GAAMGAMSI
SCHEMBL5074029 0.76 MGAM (0.76) PARP1GAAMGAMSIMGAM2
SCHEMBL30615069 0.76 MGAM (0.76) PARP1GAAMGAMSIMGAM2
SCHEMBL7146754 0.76 DHODH (0.62) DHODHPARP1GAAMGAMSI

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 10 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
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 1/4885PARP1 1086/4885GAA 318/4885

“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.