SCHEMBL506183

SCHEMBL506183

N#Cc1ccc(Oc2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.54
DHODH Q02127 6/20 0.52
PARP1 P09874 1/20 0.49
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PRSS12 P56730 1/20 0.42
SCN9A Q15858 2/20 0.42

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
SCHEMBL505009 0.88 DHODH (0.65) CHEK2DHODH
SCHEMBL13144816 0.85 DHODH (0.55) CHEK2DHODHPARP1
SCHEMBL505605 0.84 CHEK2 (0.54) CHEK2DHODHKDM4CKDM5BPRSS12
SCHEMBL10212035 0.81 DHODH (0.77) CHEK2DHODHPARP1
SCHEMBL10267390 0.79 DHODH (0.55) CHEK2DHODHPARP1
SCHEMBL504921 0.79 DHODH (0.67) CHEK2DHODH
SCHEMBL696548 0.79 DHODH (0.56) DHODHPARP1KDM4CKDM5B
SCHEMBL15958954 0.78 PARP1 (0.62) DHODHPARP1
SCHEMBL505489 0.77 DHODH (0.57) CHEK2DHODHKDM4C
SCHEMBL6840181 0.76 TNKS (0.54) CHEK2DHODHPARP1PRSS12

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 CHEK2 3343/4885DHODH 1/4885PARP1 1086/4885

“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.