SCHEMBL505230

SCHEMBL505230

Cn1c(-c2ccc(-c3ccccc3)cc2)nc2c(C(=O)O)cccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.63
PARP1 P09874 1/20 0.60
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TLR7 Q9NYK1 1/20 0.45
ACLY P53396 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
CHEK2 O96017 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL31212825 0.82 PARP1 (0.56) DHODHPARP1HDAC1HDAC8HDAC6
SCHEMBL6922941 0.80 PARP1 (0.46) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL15520332 0.80 PARP1 (0.48) DHODHPARP1HDAC1HDAC8HDAC6
SCHEMBL7259712 0.80 PARP1 (0.47) DHODHPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL7981849 0.77 TLR7 (0.50) DHODHPARP1HDAC1HDAC8HDAC6
SCHEMBL505544 0.77 DHODH (1.00) DHODHHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1104838 0.77 TLR7 (0.53) DHODHPARP1TLR7CA1CA2
SCHEMBL21905308 0.76 DHODH (0.58) DHODHHDAC1HDAC8HDAC6
SCHEMBL9251552 0.76 PARP1 (0.46) DHODHPARP1HDAC1HDAC8HDAC6
SCHEMBL7254390 0.76 PARP1 (0.46) DHODHPARP1ALDH1A1KDM4EHSD17B10

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 1086/4885HDAC1 333/4885

“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.