SCHEMBL212429

SCHEMBL212429

[CH2][C@@H](O)C[C@@H](COC(=O)Nc1nc2ccccc2s1)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 7/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
STAT1 P42224 1/20 0.41
TSHR P16473 1/20 0.37
MAPK1 P28482 3/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL214705 0.92 CSNK1D (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2723928 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL210429 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2724473 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL211088 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL211087 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL211144 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL211145 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL212428 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2724313 0.84 CSNK1D (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885

“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.