SCHEMBL4067906

SCHEMBL4067906

C[Si](C)(C)CCOCn1cc(-c2ccc([N+](=O)[O-])cc2)nc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.39
MBD2 Q9UBB5 1/20 0.39
PDE10A Q9Y233 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DGAT1 O75907 1/20 0.36
APP P05067 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
SCHEMBL1506131 0.85 DGAT1 (0.47) PDE10ADGAT1
SCHEMBL4063163 0.84 PDE10A (0.41) PDE10ASMN1; SMN2MAPTDGAT1
SCHEMBL4064489 0.76 ALDH1A1 (0.38) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL4072730 0.74 RAB9A (0.57) F2RL3MBD2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1767786 0.74 PDE10A (0.41) PDE10ADGAT1
SCHEMBL31021830 0.73 DGAT1 (0.41) PDE10ADGAT1
SCHEMBL4428338 0.73 DGAT1 (0.36) PDE10ADGAT1
SCHEMBL614260 0.73 DGAT1 (0.44) PDE10ADGAT1
SCHEMBL3024392 0.73 SCN4A (0.44) F2RL3MBD2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23855046 0.72 ALDH1A1 (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA

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 8 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
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F2RL3 229/4885MBD2 2569/4885PDE10A 1508/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 F2RL3 449/4885MBD2 1814/4885PDE10A 1457/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F2RL3 229/4885MBD2 2569/4885PDE10A 1508/4885

“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.