SCHEMBL209734

SCHEMBL209734

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCCO)COC(=O)Nc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 4/20 0.36
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 2/20 0.33
MAOB P27338 1/20 0.33
BDKRB1 P46663 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9608180 0.95 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19POLB
SCHEMBL210038 0.94 KDM4E (0.38) POLBMAPTTP53KMT2ANPC1
SCHEMBL211538 0.94 TP53 (0.38) POLBMAPTTP53KMT2ARAB9A
SCHEMBL211535 0.93 HIF1A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19POLB
SCHEMBL211805 0.91 MAOB (0.33) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL209975 0.89 MAPT (0.38) CYP1A2CYP2C9CYP2C19GAAMAPT
SCHEMBL9608347 0.87 TP53 (0.32) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL14734387 0.86 TP53 (0.38) POLBGAAMAPTTP53KMT2A
SCHEMBL212861 0.86 KDM4E (0.38) POLBMAPTTP53KMT2ANPC1
SCHEMBL4350864 0.86 SCD5 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19POLB

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 11 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-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-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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CYP1A2 1639/4885CYP2D6 2173/4885CYP2C9 3010/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYP1A2 1639/4885CYP2D6 2173/4885CYP2C9 3010/4885

“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.