SCHEMBL210507

SCHEMBL210507

CC(=O)N(CCOC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.39
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.37
DYRK1A Q13627 1/20 0.37
FSCN1 Q16658 1/20 0.37

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
SCHEMBL211547 0.93 CSNK1D (0.46) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211950 0.92 CSNK1D (0.45) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4342546 0.91 RAB9A (0.58) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8510224 0.88 DYRK1A (0.49) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211695 0.87 NPC1 (0.55) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8509643 0.85 KMT2A (0.48) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL210936 0.84 ALDH1A1 (0.41) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2722984 0.84 CSNK1D (0.47) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8535100 0.80 SMN1; SMN2 (0.53) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4347836 0.79 CSNK1D (0.51) CSNK1DRAB9ANPC1SMN1; SMN2ALDH1A1

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 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885RAB9A 2065/4885NPC1 4684/4885

“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.