SCHEMBL2839609

SCHEMBL2839609

CN(Cc1cccc(F)c1Cl)C(CNCC(F)F)COC(=O)Nc1cc(-c2cccc(F)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 4/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 1/20 0.32
USP30 Q70CQ3 2/20 0.32
EPHX2 P34913 1/20 0.32
SCD5 Q86SK9 1/20 0.31
RORC P51449 1/20 0.31
CSGALNACT1 Q8TDX6 1/20 0.31

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
SCHEMBL2730387 1.00 MAPT (0.38) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL2839607 1.00 MAPT (0.38) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL2758648 0.92 MAPT (0.38) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL14733485 0.90 MAPT (0.37) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL211761 0.89 MAPT (0.36) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL211762 0.89 MAPT (0.36) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL211760 0.89 MAPT (0.36) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL2725247 0.83 MAPT (0.41) MAPTKDM4EALDH1A1THRBTP53
SCHEMBL2727292 0.80 MAPT (0.35) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL2725253 0.79 KDM4E (0.33) MAPTKDM4EALDH1A1TP53MAPK1

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MAPT 530/4885KDM4E 3281/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885KDM4E 3281/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885KDM4E 3281/4885ALDH1A1 1710/4885

“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.