SCHEMBL505254

SCHEMBL505254

O=Cc1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.68
KIF11 P52732 1/20 0.47
SLC13A5 Q86YT5 1/20 0.47
PIM1 P11309 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
DHODH Q02127 2/20 0.45
SLC6A7 Q99884 1/20 0.44
XDH P47989 1/20 0.44
GALR1 P47211 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MME P08473 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
SCN5A Q14524 1/20 0.41
CHEK1 O14757 1/20 0.41
PDE10A Q9Y233 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL18001880 0.86 DRD1 (0.71) DRD1KIF11SLC13A5PIM1PIM2
SCHEMBL18002211 0.86 DRD1 (0.50) DRD1SLC13A5PIM1PIM2DHODH
SCHEMBL27900202 0.84 DRD1 (0.48) DRD1SLC13A5PIM1PIM2DHODH
SCHEMBL4035311 0.84 TRIM24 (0.51) DRD1KIF11SLC13A5SLC6A7SCN5A
SCHEMBL8350961 0.84 DRD1 (0.48) DRD1SLC13A5PIM1PIM2DHODH
SCHEMBL505301 0.83 DRD1 (0.56) DRD1KIF11PIM1PIM2SCN5A
SCHEMBL68710 0.81 PIM1 (0.52) DRD1PIM1PIM2CHRM2CHRM1
SCHEMBL29394922 0.81 PIM1 (0.52) DRD1PIM1PIM2CHRM2CHRM1
SCHEMBL29066294 0.81 CYP11B1 (0.50) DRD1DHODHXDHGALR1
SCHEMBL18002552 0.81 CYP1A1 (0.47) DRD1PIM1PIM2DHODHXDH

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 14 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
EP-1335899-A2 SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES Actelion Pharmaceuticals Ltd. (CH) 2003-08-20 EP disclosed
EP-1322612-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083641-A2 AMINO-AZA-CYCLOHEXANES FOR THE TREATMENT OF MALARIA ACTELION PHARMACEUTICALS LTD. (CH) 2002-10-24 WO disclosed
WO-2002038534-A2 SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2002-05-16 WO disclosed
WO-2002024649-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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 DRD1 1491/4885KIF11 2753/4885SLC13A5 1452/4885

“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.