SCHEMBL4073539

SCHEMBL4073539

C[Si](C)(C)CCOCn1c(C=O)nc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.45
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 3/20 0.36
NUDT1 P36639 1/20 0.36
PTGER4 P35408 1/20 0.34
TBXA2R P21731 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL19857776 0.87 NPC1 (0.38) VDRNPC1ALDH1A1KDM4EMAPT
SCHEMBL7148680 0.86 VDR (0.42) VDRKMT2ATDP1BACE1NUDT1
SCHEMBL22659127 0.84 KMT2A (0.44) KMT2ANPC1TDP1BACE1NUDT1
SCHEMBL900164 0.83 VDR (0.48) VDRKMT2ANPC1TDP1ALDH1A1
SCHEMBL31174248 0.83 VDR (0.48) VDRKMT2ANPC1TDP1ALDH1A1
SCHEMBL31174250 0.83 VDR (0.48) VDRKMT2ANPC1TDP1ALDH1A1
SCHEMBL25140338 0.81 KMT2A (0.41) KMT2ANPC1TDP1BACE1NUDT1
SCHEMBL30013921 0.81 KMT2A (0.41) KMT2ANPC1TDP1BACE1NUDT1
SCHEMBL3311841 0.80 MAPT (0.41) VDRNPC1MAPT
SCHEMBL7148685 0.78 VDR (0.39) VDRKMT2ATDP1BACE1NUDT1

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 9 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

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 VDR 336/4885KMT2A 4522/4885NPC1 1588/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 VDR 219/4885KMT2A 4512/4885NPC1 946/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 VDR 336/4885KMT2A 4522/4885NPC1 1588/4885

“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.