SCHEMBL4035803

SCHEMBL4035803

C=Cc1cc(C(=O)OC)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPT P10636 8/20 0.56
HPGD P15428 7/20 0.56
GAA P10253 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GLA P06280 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
USP2 O75604 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
HDAC1 Q13547 1/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL22899167 0.87 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL1433137 0.85 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL17055696 0.83 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL16084978 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5917939 0.81 CA1 (0.62) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL607301 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDGAA
Cyclopropane SCHEMBL8887557 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL536876 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL4129229 0.80 ERN1 (0.50) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL14269551 0.80 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 US disclosed
EP-3426246-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF National Health Research Institutes (TW) 2019-01-16 EP disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
CN-101495465-A 2-phenyl-5-amino-1,3,4-oxadiazoles and their use as nicotinic acetylcholine receptor ligands GLAXO GROUP LTD (GB) 2009-07-29 CN disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 KDM4E 3074/4885ALDH1A1 780/4885MAPT 659/4885
US-10544113-B2 Thiazolidinone compounds and use thereof OPRL1, OPRD1, OPRK1 KDM4E 3848/4885ALDH1A1 295/4885MAPT 1648/4885
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 KDM4E 1622/4885ALDH1A1 1768/4885MAPT 3389/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 KDM4E 3848/4885ALDH1A1 295/4885MAPT 1648/4885

“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.