SCHEMBL214291

SCHEMBL214291

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CSNK1D P48730 2/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 2/20 0.31
TP53 P04637 1/20 0.31
CXCR4 P61073 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL214092 0.91 NPC1 (0.34) LMNAALDH1A1NPC1MAPTPOLB
SCHEMBL209816 0.91 NPC1 (0.34) LMNAALDH1A1NPC1MAPTPOLB
SCHEMBL209702 0.89 LNPEP (0.36) LMNAALDH1A1NPC1MAPTPOLB
SCHEMBL211969 0.89 ALDH1A1 (0.35) LMNAALDH1A1NPC1MAPTRAB9A
SCHEMBL211007 0.87 NPC1 (0.33) LMNANPC1MAPTPOLBRAB9A
SCHEMBL212528 0.87 CYP1A2 (0.34) LMNANPC1MAPTRAB9ACSNK1D
SCHEMBL213340 0.86 CYP1A2 (0.33) LMNANPC1MAPTRAB9ACSNK1D
SCHEMBL8535586 0.86 CSNK1D (0.40) LMNANPC1MAPTRAB9ACSNK1D
SCHEMBL210909 0.85 BRD4 (0.33) LMNANPC1MAPTRAB9ACSNK1D
SCHEMBL212475 0.85 SLC16A3 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 LMNA 216/4885ALDH1A1 1710/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885ALDH1A1 1710/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885ALDH1A1 1710/4885NPC1 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.