SCHEMBL210702

SCHEMBL210702

CC(=O)N(CCON(C=O)c1ccc(F)cn1)NCc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK8 P45983 1/20 0.35
EPHX2 P34913 1/20 0.35
HCRTR2 O43614 1/20 0.34
HDAC3 O15379 2/20 0.33
CXCR2 P25025 1/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL213609 0.90 P2RX7 (0.35) NR3C1ALDH1A1KDM4EEPHX2HDAC3
SCHEMBL209728 0.89 EPHX2 (0.37) KDM4EEPHX2MAPTHTTTP53
SCHEMBL212585 0.88 HTT (0.35) NR3C1ALDH1A1KDM4EEPHX2HDAC3
SCHEMBL210503 0.88 EPHX2 (0.33) NR3C1ALDH1A1KDM4EEPHX2HDAC3
SCHEMBL213252 0.88 HIF1A (0.40) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL213948 0.87 SMN1; SMN2 (0.38) ALDH1A1MAPK8EPHX2HDAC3HPGD
SCHEMBL210066 0.87 VNN1 (0.39) ALDH1A1KDM4EMAPK8EPHX2HDAC3
SCHEMBL209578 0.85 ROCK2 (0.35) KDM4EEPHX2HCRTR2HDAC3HDAC1
SCHEMBL210920 0.83 NPC1 (0.43) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL210075 0.82 P2RX4 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A

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-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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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 NR3C1 3546/4885ALDH1A1 1710/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NR3C1 3546/4885ALDH1A1 1710/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NR3C1 3546/4885ALDH1A1 1710/4885KDM4E 3281/4885

“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.