SCHEMBL4067156

SCHEMBL4067156

CC(C)(C)OC(=O)C(Cl)n1cnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC8 Q9BY41 1/20 0.41
DNMT3A Q9Y6K1 2/20 0.41
APAF1 O14727 1/20 0.40
FDPS P14324 1/20 0.39
FGFR1 P11362 1/20 0.39
USP5 P45974 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 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
SCHEMBL2298531 0.74 HSD17B10 (0.49) KMT2AMEN1HPGDHSD17B10KDM4E
SCHEMBL135567 0.73 KMT2A (0.52) KMT2AMEN1HPGDHSD17B10KDM4E
SCHEMBL22234465 0.71 HSD17B10 (0.53) KMT2AMEN1HPGDHSD17B10KDM4E
SCHEMBL311877 0.71 USP5 (0.67) KMT2AUSP5SMN1; SMN2MAPTLMNA
SCHEMBL27578864 0.71 USP5 (0.67) KMT2AUSP5SMN1; SMN2MAPTLMNA
SCHEMBL4785512 0.70 MEN1 (0.58) KMT2AMEN1HPGDHSD17B10HDAC8
SCHEMBL27803082 0.69 CYP1A2 (0.51) KMT2AMEN1HPGDHSD17B10KDM4E
SCHEMBL3045921 0.69 ALDH1A1 (0.62) KDM4EALDH1A1APAF1FDPSSMN1; SMN2
SCHEMBL18258627 0.69 USP5 (0.66) KMT2AMEN1HPGDHSD17B10HDAC8
SCHEMBL30874960 0.69 USP5 (0.66) KMT2AMEN1HPGDHSD17B10HDAC8

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-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
CN-1237061-C Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2006-01-18 CN disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
CN-1458929-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-26 CN disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 KMT2A 4260/4885MEN1 4441/4885HPGD 553/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 KMT2A 4260/4885MEN1 4441/4885HPGD 553/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 KMT2A 4260/4885MEN1 4441/4885HPGD 553/4885

“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.