SCHEMBL210920

SCHEMBL210920

CC(=O)N(CCON(C=O)c1ccc2ccccc2n1)NCc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
TNF P01375 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.33
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4351807 0.87 LMNA (0.36) NPC1RAB9ATNFRXFP1MAPT
SCHEMBL209578 0.85 ROCK2 (0.35) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL213948 0.85 SMN1; SMN2 (0.38) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4344204 0.84 RAB9A (0.37) NPC1RAB9ATNFMEN1KMT2A
SCHEMBL213609 0.84 P2RX7 (0.35) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL210702 0.83 NR3C1 (0.38) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL210503 0.83 EPHX2 (0.33) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL212585 0.83 HTT (0.35) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL213252 0.83 HIF1A (0.40) HPGDLMNASMN1; SMN2
SCHEMBL14719091 0.82 NPC1 (0.34) NPC1RAB9AMAPT

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 6 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
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 NPC1 4684/4885RAB9A 2065/4885TNF 4438/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885RAB9A 2065/4885TNF 4438/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885RAB9A 2065/4885TNF 4438/4885

“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.