SCHEMBL4065460

SCHEMBL4065460

CC(C)(C)Sc1cccnc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
SLC22A12 Q96S37 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NFE2L2 Q16236 5/20 0.32
KMT2A Q03164 3/20 0.31
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
GAA P10253 1/20 0.31
GSTP1 P09211 1/20 0.30
GSTM2 P28161 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
SCHEMBL4070222 0.79 L3MBTL1 (0.46) TRIM24TRIM33L3MBTL1ALDH1A1NFE2L2
SCHEMBL18352991 0.76 LMNA (0.37) SLC22A12L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL5061249 0.76 TRIM24 (0.38) TRIM24TRIM33L3MBTL1ALDH1A1NFE2L2
SCHEMBL3073167 0.75 TRIM24 (0.35) TRIM24TRIM33L3MBTL1ALDH1A1KMT2A
SCHEMBL19410840 0.75 NPC1 (0.38) TRIM24TRIM33ALDH1A1KMT2ALMNA
SCHEMBL5490785 0.73 L3MBTL1 (0.34) SLC22A12L3MBTL1ALDH1A1KMT2ACYP2A6
SCHEMBL80776 0.72 TRIM24 (0.38) TRIM24TRIM33ALDH1A1NFE2L2KMT2A
SCHEMBL1475053 0.72 SLC22A12 (0.33) SLC22A12
SCHEMBL3074012 0.72 NOS3 (0.47) SLC22A12ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL15413736 0.72 TRIM24 (0.38) TRIM24TRIM33SLC22A12L3MBTL1KDM4E

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
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN 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 TRIM24 1715/4885TRIM33 2273/4885SLC22A12 1154/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 TRIM24 1320/4885TRIM33 2609/4885SLC22A12 1081/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 TRIM24 1715/4885TRIM33 2273/4885SLC22A12 1154/4885

“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.