SCHEMBL211778

SCHEMBL211778

CN(CCOC(=O)Nc1ccc(CO)cn1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL211285 0.93 PDCD1 (0.39) PDCD1CD274SMN1; SMN2LMNAHTT
SCHEMBL2721972 0.93 SMN1; SMN2 (0.41) PDCD1CD274SMN1; SMN2LMNAHTT
SCHEMBL9608085 0.92 SMN1; SMN2 (0.39) PDCD1CD274SMN1; SMN2LMNAHTT
SCHEMBL210652 0.90 RAB9A (0.44) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL2721906 0.89 KMT2A (0.44) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL2721312 0.88 NPC1 (0.40) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL2721313 0.88 NPC1 (0.40) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL212356 0.87 EPHX2 (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2721934 0.87 HIF1A (0.44) PDCD1CD274SMN1; SMN2LMNANPC1
SCHEMBL212594 0.86 EPHX2 (0.42) SMN1; SMN2LMNANPC1RAB9AALDH1A1

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 13 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-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-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-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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 PDCD1 4793/4885CD274 4495/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PDCD1 4793/4885CD274 4495/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PDCD1 4793/4885CD274 4495/4885SMN1; SMN2 252/4885

“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.