SCHEMBL210909

SCHEMBL210909

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
BACE1 P56817 2/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PRKCQ Q04759 2/20 0.30
CSNK1D P48730 1/20 0.30
P2RX4 Q99571 2/20 0.30
HTT P42858 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL213340 0.93 CYP1A2 (0.33) LMNANPC1RAB9ACSNK1DP2RX4
SCHEMBL212528 0.92 CYP1A2 (0.34) LMNANPC1RAB9ACSNK1DP2RX4
SCHEMBL211007 0.91 NPC1 (0.33) LMNANPC1RAB9ACSNK1DP2RX4
SCHEMBL211969 0.89 ALDH1A1 (0.35) LMNANPC1RAB9ACSNK1DP2RX4
SCHEMBL214092 0.88 NPC1 (0.34) LMNANPC1RAB9ACSNK1DHTT
SCHEMBL209816 0.88 NPC1 (0.34) LMNANPC1RAB9ACSNK1DHTT
SCHEMBL209702 0.88 LNPEP (0.36) LMNANPC1RAB9ACSNK1DP2RX4
SCHEMBL214291 0.85 LMNA (0.34) LMNANPC1RAB9ACSNK1DHTT
SCHEMBL211522 0.85 P2RX4 (0.33) P2RX4
SCHEMBL2836701 0.84 CTSK (0.33)

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 8 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-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 BRD4 871/4885BACE1 3925/4885LMNA 216/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BRD4 871/4885BACE1 3925/4885LMNA 216/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BRD4 871/4885BACE1 3925/4885LMNA 216/4885

“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.