SCHEMBL505036

SCHEMBL505036

O=C(O)c1cccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 1.00
KDM4A O75164 1/20 0.55
KDM5A P29375 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
HDAC11 Q96DB2 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
PIM1 P11309 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KEAP1 Q14145 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACMSD Q8TDX5 3/20 0.45
HNF4A P41235 2/20 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
SCHEMBL16474101 0.97 DHODH (0.94) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL6029606 0.88 DHODH (0.78) DHODHHDAC11KDM4ENPC1RAB9A
SCHEMBL10267779 0.84 DHODH (0.70) DHODHKDM4EMCL1NR4A1NR4A2
SCHEMBL8875625 0.83 DHODH (0.71) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL10267778 0.81 DHODH (0.68) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL6029671 0.81 DHODH (0.68) DHODHHDAC11KDM4EBRD4
SCHEMBL505688 0.81 DHODH (0.68) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL8809899 0.77 DHODH (0.62) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL6028044 0.76 DHODH (0.61) DHODHHDAC11KDM4EBRD4
SCHEMBL11035155 0.75 HSD17B10 (0.62) DHODHKDM4EMAPTPIM1GFER

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 1/4885KDM4A 1012/4885KDM5A 707/4885

“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.