SCHEMBL4393280

SCHEMBL4393280

COCOc1ccc2ccccc2c1C1c2ccccc2CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)N1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
AVPR1B P47901 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FGB P02675 1/20 0.30
ALOX15 P16050 1/20 0.30
TNNI3 P19429 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30

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
SCHEMBL11948858 0.90 MTNR1A (0.39) TP53MAPK1MTNR1AMTNR1BMEN1
SCHEMBL13651011 0.68 DHFR (0.36) SMN1; SMN2DRD2DRD1MEN1KMT2A
SCHEMBL4391667 0.64 PRCP (0.51) DRD2DRD1MTNR1AMTNR1B
SCHEMBL1446528 0.62 MAPT (0.63) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29820187 0.62 MAPT (0.63) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL15285233 0.61 MAPT (0.47) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8731312 0.61 NCEH1 (0.47) SMN1; SMN2MAPK1MEN1KMT2ACASP1
SCHEMBL20563011 0.60 LMNA (0.49) SMN1; SMN2TP53MEN1KMT2AHSD17B10
SCHEMBL20562339 0.60 MAPT (0.46) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29937151 0.60 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPK1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 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 (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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 SMN1; SMN2 4348/4885TP53 2150/4885DRD2 615/4885

“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.