SCHEMBL3126372

SCHEMBL3126372

COc1nc(/C=C/C(=O)O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CNKSR1 Q969H4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL3126383 1.00 KDM4E (0.46) KDM4ELMNATHRBATMALDH1A1
SCHEMBL19172533 0.84 HDAC8 (0.36) KDM4ELMNASMN1; SMN2HDAC8HDAC6
SCHEMBL20337173 0.83 KDM4E (0.49) KDM4ELMNATHRBATMALDH1A1
SCHEMBL1239519 0.81 ESR1 (0.35) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL909055 0.81 CA12 (0.44) KDM4ELMNAALDH1A1CNKSR1PKM
SCHEMBL1239523 0.81 ESR1 (0.35) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL16633690 0.81 KDM4E (0.46) KDM4ELMNATHRBATMALDH1A1
SCHEMBL16633691 0.81 KDM4E (0.46) KDM4ELMNATHRBATMALDH1A1
SCHEMBL25293885 0.79 KDM4E (0.44) KDM4ELMNATHRBATMALDH1A1
SCHEMBL909673 0.77 KDM4E (0.42) KDM4ELMNATHRBATMALDH1A1

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 7 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-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP 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-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 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 (2 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-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 KDM4E 3909/4885LMNA 1027/4885THRB 2828/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 KDM4E 4155/4885LMNA 899/4885THRB 3423/4885

“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.