SCHEMBL505872

SCHEMBL505872

O=C(O)c1ccc(-c2ccccc2F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.71
DHODH Q02127 7/20 0.53
AXL P30530 1/20 0.51
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
DHFR P00374 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
CXCL12 P48061 1/20 0.47

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
SCHEMBL14252244 0.89 ACMSD (0.76) ACMSDDHODHPTPRCPTPN1AKR1C2
SCHEMBL14089922 0.86 ACMSD (0.62) ACMSDAXLAKR1C2AKR1C1ALDH1A1
SCHEMBL28173338 0.86 ACMSD (0.77) ACMSDDHODHPTPRCPTPN1AKR1C2
SCHEMBL18742254 0.86 ACMSD (0.76) ACMSDDHODHPTPRCPTPN1AKR1C2
SCHEMBL29360995 0.86 ACMSD (0.76) ACMSDDHODHPTPRCPTPN1AKR1C2
SCHEMBL30611811 0.85 ACMSD (0.65) ACMSDDHODHPTPRCPTPN1ALDH1A1
SCHEMBL10024266 0.85 ACMSD (0.65) ACMSDDHODHPTPRCPTPN1ALDH1A1
SCHEMBL148241 0.85 ACMSD (0.65) ACMSDDHODHPTPRCPTPN1ALDH1A1
SCHEMBL4651517 0.85 MCL1 (0.65) ACMSDDHODHAXLAKR1C2AKR1C1
SCHEMBL4651791 0.85 ACMSD (0.53) ACMSDDHODHAXLAKR1C2AKR1C1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111451-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-08-11 CN disclosed
CN-104030987-B DIHYDROOROTATE DEHYDROGENASE INHIBITORS 默克雪兰诺有限公司 2017-04-12 CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP 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-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 WO disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 WO disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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 (4 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 ACMSD 1522/4885DHODH 3320/4885AXL 2651/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 ACMSD 1522/4885DHODH 3320/4885AXL 2651/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD ACMSD 2558/4885DHODH 1/4885AXL 4684/4885
US-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 ACMSD 1323/4885DHODH 2346/4885AXL 1339/4885

“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.