SCHEMBL505301

SCHEMBL505301

O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.56
KIF11 P52732 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP2A6 P11509 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
SCN5A Q14524 5/20 0.45
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
EPHX2 P34913 2/20 0.45
FAAH O00519 1/20 0.45
NOTUM Q6P988 1/20 0.42
ALDH1A3 P47895 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
STS P08842 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
SCHEMBL97114 0.94 ALDH1A1 (0.52) DRD1ALDH1A1CYP2A6PIM1PIM2
Hydrochloric Acid SCHEMBL3539828 0.92 ALDH1A1 (0.50) DRD1KIF11ALDH1A1CYP2A6PIM1
SCHEMBL3464474 0.88 CYP2D6 (0.48) DRD1ALDH1A1CYP2A6PIM1PIM2
SCHEMBL3464472 0.88 CYP2D6 (0.48) DRD1ALDH1A1CYP2A6PIM1PIM2
SCHEMBL1744566 0.88 PARP10 (0.50) DRD1ALDH1A1CYP2A6PIM1PIM2
SCHEMBL1230329 0.87 PIP4K2A (0.51) DRD1KIF11SCN5AAURKATPX2
SCHEMBL1229166 0.86 DRD1 (0.44) DRD1KIF11ALDH1A1PIM1PIM2
SCHEMBL1230586 0.86 DRD1 (0.44) DRD1KIF11ALDH1A1PIM1PIM2
SCHEMBL9607433 0.85 ALDH1A1 (0.49) DRD1ALDH1A1CYP2A6PIM1PIM2
SCHEMBL18002361 0.84 AURKA (0.47) DRD1KIF11PIM1PIM2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024226603-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-10-31 WO disclosed
CN-118666841-A Indole-tetramic acid compound, preparation and medical application thereof 中国医学科学院药物研究所 2024-09-20 CN disclosed
CN-107759522-B Carboxylic acid derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2023-04-14 CN disclosed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
CN-113631548-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2021-11-09 CN disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
CN-107759522-A Carboxylic acid derivative, its preparation method and its purposes in medicine 浙江海正药业股份有限公司 2018-03-06 CN 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-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2002012236-A1 SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) BAYER CROPSCIENCE AG (DE) 2002-02-14 WO disclosed
US-6291492-B1 3-aryl alkenyl-1,2,4-oxadiazole derivatives and their use as parasiticides for animals BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
EP-0740664-A1 3-ARYL ALKENYL-1,2,4-OXADIAZOLE DERIVATIVES AND THEIR USE AS PARASITICIDES FOR ANIMALS BAYER AG (DE) 1996-11-06 EP disclosed
WO-1995019354-A1 3-ARYL ALKENYL-1,2,4-OXADIAZOLE DERIVATIVES AND THEIR USE AS PARASITICIDES FOR ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 DRD1 196/4885KIF11 3946/4885ALDH1A1 355/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT DRD1 3772/4885KIF11 3980/4885ALDH1A1 481/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT DRD1 3772/4885KIF11 3980/4885ALDH1A1 481/4885

“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.