SCHEMBL4849102

SCHEMBL4849102

COc1cc(Cl)ccc1C(O)c1nc([Si](C)(C)C)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR3 Q99500 1/20 0.38
CNR2 P34972 1/20 0.34
HTR1A P08908 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
PYGL P06737 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LPAR1 Q92633 2/20 0.32
ALOX5 P09917 1/20 0.32
CXCL12 P48061 1/20 0.32
CTSA P10619 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4849513 0.75 CTSA (0.48) CNR2CTSAUSP2KCNMA1
SCHEMBL4858097 0.70 CNR2 (0.36) ALDH1A1KDM4ES1PR3CNR2HPGD
SCHEMBL6239164 0.68 LPAR1 (0.44) ALDH1A1KDM4ES1PR3HPGDMEN1
SCHEMBL14419235 0.65 CTSA (0.48) ALDH1A1KDM4ESMN1; SMN2CTSAUSP2
SCHEMBL4856771 0.65 GAA (0.50) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1911429 0.65 LPAR1 (0.50) ALDH1A1S1PR3HPGDMEN1KMT2A
SCHEMBL24370651 0.62 ADRA2A (0.44) HTR1AMEN1KMT2ATRPV4PYGL
SCHEMBL27753971 0.62 LPAR1 (0.48) ALDH1A1S1PR3HPGDMEN1KMT2A
SCHEMBL1678998 0.61 PTGS1 (0.49) ALDH1A1HPGDMEN1KMT2ATRPV4
SCHEMBL12064938 0.61 FFAR2 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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 (1 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885KDM4E 1406/4885S1PR3 3783/4885

“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.