SCHEMBL505583

SCHEMBL505583

Cc1nc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2)oc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.45
GAA P10253 1/20 0.42
PARP1 P09874 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMO Q99835 1/20 0.39
RAB9A P51151 2/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
NPC1 O15118 1/20 0.38
PIN1 Q13526 1/20 0.37

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
SCHEMBL505273 0.82 PARP1 (0.52) DHODHGAAPARP1KDM4EALDH1A1
SCHEMBL696548 0.80 DHODH (0.56) DHODHGAAPARP1KDM4EALDH1A1
SCHEMBL15958954 0.79 PARP1 (0.62) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL6840235 0.78 TNKS (0.54) DHODHGAAPARP1KDM4EALDH1A1
SCHEMBL6840181 0.78 TNKS (0.54) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL10267474 0.77 DHODH (0.57) DHODHGAAPARP1KDM4EALDH1A1
SCHEMBL6840234 0.77 ALDH1A1 (0.52) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL505582 0.76 DHODH (0.64) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL505009 0.75 DHODH (0.65) DHODH
SCHEMBL505559 0.74 TNKS (0.55) DHODHPARP1TNKSTNKS2PIN1

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 1/4885GAA 318/4885PARP1 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.