SCHEMBL505378

SCHEMBL505378

O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.69
ACMSD Q8TDX5 1/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL536111 0.93 DHODH (0.59) DHODHACMSDRAB9AKDM4ENPC1
SCHEMBL505906 0.91 DHODH (0.58) DHODHACMSDRAB9AKDM4EALDH1A1
SCHEMBL505457 0.91 DHODH (0.68) DHODHRAB9AKDM4EHDAC6
SCHEMBL6840296 0.91 RAB9A (0.56) DHODHRAB9AKDM4ENPC1ALDH1A1
SCHEMBL506154 0.88 DHODH (0.67) DHODHACMSDRAB9AKDM4EHDAC6
SCHEMBL505932 0.86 DHODH (0.71) DHODHACMSDHDAC6
SCHEMBL505990 0.83 DHODH (0.57) DHODHACMSDKDM4EALDH1A1HDAC6
SCHEMBL10212698 0.82 DHODH (1.00) DHODHPARP1
SCHEMBL536113 0.80 DHODH (0.58) DHODHRAB9AKDM4EALDH1A1PARP1
SCHEMBL536117 0.80 DHODH (0.60) DHODHHDAC6

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 1/4885ACMSD 2558/4885RAB9A 1436/4885

“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.