SCHEMBL908600

SCHEMBL908600

CC(C)(C)OC(=O)NNC(=O)C(CCCCl)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
CTSS P25774 2/20 0.41
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KCNQ2 O43526 1/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
APLNR P35414 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL1533156 0.86 CTSS (0.39) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL21886893 0.86 CTSK (0.44) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL908694 0.83 APLNR (0.39) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL18615106 0.82 KDM4D (0.40) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL1533466 0.81 APLNR (0.39) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL1533125 0.81 L3MBTL1 (0.38) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL1532859 0.80 APLNR (0.38) CTSKCTSSHDAC4LMNAPOLB
SCHEMBL909224 0.79 CTSK (0.46) CTSKCTSSLMNAPOLBAPLNR
SCHEMBL1533435 0.78 ALDH1A1 (0.39) CTSKCTSSLMNAPOLBAPLNR
Hydrochloric Acid SCHEMBL908855 0.77 HDAC4 (0.44) HDAC4HDAC7HDAC5KCNQ2KDM4E

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 CTSK 3389/4885CTSS 2612/4885HDAC4 1777/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 CTSK 4267/4885CTSS 3249/4885HDAC4 1436/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CTSK 3054/4885CTSS 1687/4885HDAC4 1618/4885

“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.