SCHEMBL5308778

SCHEMBL5308778

CCOC(=O)c1c(O)c2ccccc2n(CC(C)C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.77
LMNA P02545 4/20 0.71
ALDH1A1 P00352 10/20 0.69
HTT P42858 8/20 0.68
RECQL P46063 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HSP90AA1 P07900 1/20 0.58
ALOX15 P16050 1/20 0.58
USP2 O75604 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 3/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL30198068 1.00 KDM4E (0.77) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL2383886 0.87 KDM4E (1.00) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL25721191 0.87 KDM4E (0.58) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL38660347 0.85 KDM4E (0.86) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL24054558 0.84 ALDH1A1 (0.76) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL30198363 0.84 ALDH1A1 (0.76) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL24054938 0.84 ALDH1A1 (0.63) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL29280468 0.83 HSP90AA1 (0.64) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL29943809 0.83 ALDH1A1 (0.76) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL27031265 0.83 ALDH1A1 (0.76) KDM4ELMNAALDH1A1HTTRECQL

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-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
CN-115836056-A NOTCH inhibitors and uses thereof STEMSYNERGY疗法有限责任公司 2023-03-21 CN disclosed
WO-2021237112-A1 NOTCH INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
US-9757369-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-09-12 US disclosed
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-07-13 US disclosed
EP-2769720-B1 HETEROCYCLIC GSK-3 ALLOSTERIC MODULATORS CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-03-29 EP disclosed
US-9585879-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-03-07 US disclosed
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2016-04-28 US disclosed
US-9193688-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-11-24 US disclosed
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2015-02-26 US disclosed
EP-2769720-A1 HETEROCYCLIC GSK-3 ALLOSTERIC MODULATORS Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2014-08-27 EP disclosed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 KDM4E 751/4885LMNA 3567/4885ALDH1A1 2288/4885
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP KDM4E 878/4885LMNA 2874/4885ALDH1A1 3820/4885
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP KDM4E 878/4885LMNA 2874/4885ALDH1A1 3820/4885
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP KDM4E 878/4885LMNA 2874/4885ALDH1A1 3820/4885

“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.