SCHEMBL213948

SCHEMBL213948

CC(=O)N(CCON(C=O)c1ccccn1)NCc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK8 P45983 3/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
P2RX4 Q99571 2/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL210075 0.89 P2RX4 (0.34) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL213609 0.88 P2RX7 (0.35) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL210702 0.87 NR3C1 (0.38) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL210503 0.86 EPHX2 (0.33) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL213252 0.86 HIF1A (0.40) SMN1; SMN2HPGDEPHX2HDAC3
SCHEMBL212585 0.86 HTT (0.35) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL209578 0.85 ROCK2 (0.35) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL210920 0.85 NPC1 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL209728 0.85 EPHX2 (0.37) HTTEPHX2
SCHEMBL210066 0.85 VNN1 (0.39) MEN1KMT2AMAPK8CYP1A2CYP3A4

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 SMN1; SMN2 252/4885MEN1 665/4885KMT2A 2418/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885MEN1 665/4885KMT2A 2418/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885MEN1 665/4885KMT2A 2418/4885

“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.