SCHEMBL505273

SCHEMBL505273

Cc1ccc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.52
TNKS O95271 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
DHODH Q02127 12/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CHEK2 O96017 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
SCHEMBL696548 0.87 DHODH (0.56) PARP1TNKSTNKS2DHODHKDM4E
SCHEMBL15958954 0.86 PARP1 (0.62) PARP1TNKSTNKS2DHODHKDM4E
SCHEMBL6840235 0.84 TNKS (0.54) PARP1TNKSTNKS2DHODHKDM4E
SCHEMBL6840181 0.84 TNKS (0.54) PARP1TNKSTNKS2DHODHKDM4E
SCHEMBL29087625 0.84 KDM4E (0.52) PARP1TNKSTNKS2KDM4EALDH1A1
SCHEMBL10267474 0.83 DHODH (0.57) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL6840234 0.83 ALDH1A1 (0.52) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL505559 0.83 TNKS (0.55) PARP1TNKSTNKS2DHODHCHEK2
SCHEMBL505583 0.82 DHODH (0.45) PARP1TNKSTNKS2DHODHKDM4E
SCHEMBL505582 0.82 DHODH (0.64) PARP1TNKSTNKS2DHODHKDM4E

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 PARP1 1086/4885TNKS 2133/4885TNKS2 2266/4885

“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.