SCHEMBL211363

SCHEMBL211363

CC(=O)N(CCOC(=O)Nc1noc2ccccc12)NCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ3 P48549 1/20 0.41
MAPT P10636 4/20 0.39
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
HIF1A Q16665 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.35
FAAH O00519 2/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL2721412 0.83 TP53 (0.44) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL212616 0.80 RAB9A (0.60) TP53SMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL211381 0.79 KMT2A (0.48) ALOX15TSHRMAPTKMT2AKDM4E
SCHEMBL2880895 0.76 KMT2A (0.42) TP53SMN1; SMN2MAPTSCN9ASCN5A
SCHEMBL210936 0.75 ALDH1A1 (0.41) SMN1; SMN2TSHRMAPTKMT2ANPC1
SCHEMBL209559 0.75 RAB9A (0.39) TP53SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL4342546 0.74 RAB9A (0.58) SMN1; SMN2TSHRMAPTKMT2AKDM4E
SCHEMBL212071 0.74 ALDH1A1 (0.56) TP53SMN1; SMN2TSHRKDM4ENPC1
SCHEMBL209913 0.73 GCK (0.39) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL212593 0.73 EPHX2 (0.39) SMN1; SMN2MAPTP2RX7NPC1RAB9A

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-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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 TP53 2206/4885SMN1; SMN2 252/4885ALOX15 3023/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885SMN1; SMN2 252/4885ALOX15 3023/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885SMN1; SMN2 252/4885ALOX15 3023/4885

“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.