SCHEMBL505569

SCHEMBL505569

COc1cccc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.55
PIN1 Q13526 1/20 0.54
PARP1 P09874 1/20 0.50
DYRK3 O43781 1/20 0.48
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL505208 0.85 DHODH (0.70) DHODH
SCHEMBL31053400 0.83 PARP1 (0.67) PIN1PARP1DYRK3
SCHEMBL696548 0.82 DHODH (0.56) DHODHPIN1PARP1KDM4ENPC1
SCHEMBL504976 0.82 DHODH (0.67) DHODHPIN1HCAR2
SCHEMBL504921 0.82 DHODH (0.67) DHODHPIN1KDM4ENPC1ALDH1A1
SCHEMBL505009 0.82 DHODH (0.65) DHODH
SCHEMBL10211811 0.81 DHODH (0.77) DHODHPARP1
SCHEMBL505273 0.81 PARP1 (0.52) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL4740751 0.81 GUSB (0.59) DHODHPARP1KDM4ENPC1ALDH1A1
SCHEMBL16638382 0.80 DHODH (0.70) DHODHPARP1KDM4ENPC1ALDH1A1

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 1/4885PIN1 2312/4885PARP1 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.