SCHEMBL909372

SCHEMBL909372

COc1nc(/C=C/C(=O)O)ccc1NC(=O)CC(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
FPR2 P25090 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL909377 1.00 GAA (0.39) GAAHTTRECQLLMNAKDM4E
SCHEMBL908954 0.80 GAA (0.34) GAAHTTRECQLL3MBTL1FPR2
SCHEMBL908951 0.80 GAA (0.34) GAAHTTRECQLL3MBTL1FPR2
SCHEMBL909673 0.76 KDM4E (0.42) GAALMNAKDM4EKEAP1NFE2L2
SCHEMBL909672 0.76 KDM4E (0.42) GAALMNAKDM4EKEAP1NFE2L2
SCHEMBL909370 0.71 KDM4E (0.36) GAALMNAKDM4EKEAP1NFE2L2
SCHEMBL20337173 0.71 KDM4E (0.49) GAAHTTLMNAKDM4ETHRB
SCHEMBL25293885 0.71 KDM4E (0.44) GAAHTTLMNAKDM4ETHRB
SCHEMBL16633691 0.70 KDM4E (0.46) GAAHTTLMNAKDM4ETHRB
SCHEMBL3126383 0.70 KDM4E (0.46) GAAHTTLMNAKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 GAA 2325/4885HTT 10/4885RECQL 2398/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 GAA 1935/4885HTT 6/4885RECQL 1152/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 GAA 1552/4885HTT 10/4885RECQL 1259/4885

“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.