SCHEMBL211535

SCHEMBL211535

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCCO)COC(=O)Nc1cc(-c2ccccc2)on1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
SCD5 Q86SK9 2/20 0.35
SCD O00767 1/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL210038 0.95 KDM4E (0.38) HIF1AMAOBMAPTRAB9ALMNA
SCHEMBL211805 0.94 MAOB (0.33) HIF1ASCD5MAOBMAPTKDM4E
SCHEMBL209734 0.93 CYP1A2 (0.37) MAOBMAPTRAB9AKDM4ECYP1A2
SCHEMBL211538 0.93 TP53 (0.38) HIF1AMAOBMAPTRAB9ATP53
SCHEMBL4350864 0.92 SCD5 (0.35) HIF1ASCD5SCDMAOBMAPT
SCHEMBL210987 0.92 FOLH1 (0.36) HIF1ASCD5SCDMAOBMAPT
SCHEMBL2724049 0.91 SCD5 (0.34) SCD5SCDMAOBMAPTRAB9A
SCHEMBL212596 0.91 MAOB (0.35) SCD5SCDMAOBMAPTRAB9A
SCHEMBL211072 0.90 PIN1 (0.35) HIF1ASCD5SCDMAOBMAPT
SCHEMBL209975 0.90 MAPT (0.38) MAPTRAB9ALMNAL3MBTL1CYP1A2

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 12 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-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 HIF1A 3543/4885SCD5 3908/4885SCD 3288/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HIF1A 3543/4885SCD5 3908/4885SCD 3288/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HIF1A 3543/4885SCD5 3908/4885SCD 3288/4885

“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.