SCHEMBL209702

SCHEMBL209702

CC(=O)N(NCc1ccccc1Cl)[C@H](CON(C=O)c1cc2ccccc2cn1)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.36
ANPEP P15144 1/20 0.34
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
RAB9A P51151 1/20 0.32
CSNK1D P48730 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
P2RX4 Q99571 2/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
HDAC3 O15379 1/20 0.31
MAOB P27338 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
SCHEMBL211969 0.92 ALDH1A1 (0.35) NPC1LMNARAB9ACSNK1DALDH1A1
SCHEMBL214092 0.91 NPC1 (0.34) NPC1LMNAPOLBRAB9ACSNK1D
SCHEMBL209816 0.91 NPC1 (0.34) NPC1LMNAPOLBRAB9ACSNK1D
SCHEMBL211007 0.90 NPC1 (0.33) NPC1LMNAPOLBRAB9ACSNK1D
SCHEMBL214291 0.89 LMNA (0.34) NPC1LMNAPOLBRAB9ACSNK1D
SCHEMBL213340 0.89 CYP1A2 (0.33) NPC1LMNARAB9ACSNK1DP2RX4
SCHEMBL210909 0.88 BRD4 (0.33) NPC1LMNARAB9ACSNK1DP2RX4
SCHEMBL212528 0.88 CYP1A2 (0.34) NPC1LMNARAB9ACSNK1DP2RX4
SCHEMBL213792 0.81 P2RX4 (0.33) P2RX4
SCHEMBL211989 0.81 ANO1 (0.31) NPC1RAB9AKDM4EALDH1A1SLC16A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
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
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 LNPEP 3103/4885ANPEP 2983/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LNPEP 3103/4885ANPEP 2983/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LNPEP 3103/4885ANPEP 2983/4885NPC1 4684/4885

“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.