SCHEMBL4351807

SCHEMBL4351807

CC(=O)N(CCON(C=O)c1cc(O)c2ccccc2n1)NCc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
UBE2I P63279 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
MOK Q9UQ07 2/20 0.33
TNF P01375 1/20 0.32
PDE5A O76074 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CD38 P28907 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL210920 0.87 NPC1 (0.43) LMNAMAPTNPC1RAB9ATNF
SCHEMBL209578 0.81 ROCK2 (0.35) LMNANPC1RAB9AHDAC6
SCHEMBL213948 0.81 SMN1; SMN2 (0.38) NPC1RAB9A
SCHEMBL4344204 0.81 RAB9A (0.37) LMNAMAPTNPC1RAB9ATNF
SCHEMBL210075 0.80 P2RX4 (0.34) LMNAMAPTTP53NPC1RAB9A
SCHEMBL4343448 0.79 KDR (0.32) MAPTNPC1RAB9A
SCHEMBL213252 0.79 HIF1A (0.40) LMNAHDAC6
SCHEMBL213609 0.79 P2RX7 (0.35) LMNATP53NPC1RAB9AHDAC6
SCHEMBL210702 0.78 NR3C1 (0.38) MAPTTP53NPC1RAB9AHDAC6
SCHEMBL210970 0.78 TP53 (0.41) MAPTTP53NPC1RAB9A

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 5 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-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 216/4885MAPT 530/4885TP53 2206/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885MAPT 530/4885TP53 2206/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885MAPT 530/4885TP53 2206/4885

“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.