SCHEMBL5081589

SCHEMBL5081589

CCOC(=O)COc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.50
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
METAP1 P53582 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL19128693 0.86 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL7583697 0.83 TSHR (0.56) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL18799216 0.83 TSHR (0.47) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL315714 0.79 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL7969480 0.79 TSHR (0.55) SMN1; SMN2ALDH1A1LMNATSHRNPC1
SCHEMBL12686026 0.79 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL1291191 0.79 TSHR (0.56) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3891985 0.78 TSHR (0.54) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL481549 0.78 LMNA (0.49) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL9926454 0.78 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433200-B Compounds and pharmaceutical compositions for the treatment of diseases 加拉帕戈斯股份有限公司 2024-03-22 CN disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 US disclosed
CN-109535144-A A kind of 1,3,4- oxadiazoles thio-ether type compounds and its preparation method and application 贵州大学 2019-03-29 CN disclosed
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-20130345212-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2012119978-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
EP-1937069-A2 HERBICIDAL COMPOSITIONS BASED ON 3-PHENYLURACILS AND N-[[4-[(CYCLOPROPYLAMINO)-CARBONYL]PHENYL]SULFONYL]-2-METHOXYBENZAMIDE BASF SE (DE) 2008-07-02 EP disclosed
WO-2007042447-A2 HERBICIDAL COMPOSITIONS BASED ON 3-PHENYLURACILS AND N-[[4-[(CYCLOPROPYLAMINO)-CARBONYL]PHENYL]SULFONYL]-2-METHOXYBENZAMIDE BASF SE (DE) 2007-04-19 WO disclosed
US-5698539-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 KDM4E 2470/4885SMN1; SMN2 4328/4885ALDH1A1 1140/4885
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 KDM4E 937/4885SMN1; SMN2 2229/4885ALDH1A1 156/4885
US-20130345212-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 KDM4E 2470/4885SMN1; SMN2 4328/4885ALDH1A1 1140/4885

“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.