SCHEMBL505688

SCHEMBL505688

O=C(O)c1cc(Cl)cc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.68
KDM4A O75164 1/20 0.48
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAPK14 Q16539 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
SCHEMBL10267778 0.83 DHODH (0.68) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL505036 0.81 DHODH (1.00) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL16474101 0.77 DHODH (0.94) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL3985467 0.77 ALDH1A1 (0.57) DHODHKDM4EMEN1NPC1ALDH1A1
SCHEMBL505338 0.75 DHODH (0.64) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL3976721 0.74 ALDH1A1 (0.54) DHODHKDM4EMEN1NPC1ALDH1A1
SCHEMBL3012783 0.74 ALDH1A1 (0.54) DHODHKDM4EMEN1NPC1ALDH1A1
SCHEMBL7905115 0.74 NPC1 (0.54) DHODHKDM4EMEN1NPC1ALDH1A1
SCHEMBL6029606 0.72 DHODH (0.78) DHODHKDM4ENPC1ALDH1A1RAB9A
SCHEMBL5190114 0.72 AKR1C4 (0.42) DHODHALDH1A1SMN1; SMN2HPGDAKR1C2

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.