SCHEMBL4069849

SCHEMBL4069849

C[Si](C)(C)CCOCn1c(C=O)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 8/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
DGAT1 O75907 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9736574 0.89 F11 (0.37) F11KDM4EALDH1A1HPGDTSHR
SCHEMBL9736572 0.89 F11 (0.37) F11KDM4EALDH1A1HPGDTSHR
SCHEMBL4064372 0.88 NPC1 (0.36) F11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6211362 0.87 NPC1 (0.35) F11KDM4EHSD17B10NPC1DGAT1
SCHEMBL4837991 0.87 F11 (0.38) F11KDM4EALDH1A1NPC1DGAT1
SCHEMBL1128148 0.84 MAPK14 (0.45)
SCHEMBL9737053 0.84 F11 (0.37) F11KDM4EALDH1A1HPGDTSHR
SCHEMBL9737058 0.84 F11 (0.37) F11KDM4EALDH1A1HPGDTSHR
SCHEMBL9735831 0.81 MEN1 (0.42) F11FAAHNPC1MEN1KMT2A
SCHEMBL9735838 0.81 MEN1 (0.42) F11FAAHNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F11 3020/4885KDM4E 4709/4885ALDH1A1 1755/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 F11 2962/4885KDM4E 4665/4885ALDH1A1 2001/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F11 3020/4885KDM4E 4709/4885ALDH1A1 1755/4885

“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.