SCHEMBL14005203

SCHEMBL14005203

CN(NC(=O)c1ccc(CNCc2ccccn2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPK14 Q16539 1/20 0.46
AGTR1 P30556 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CA2 P00918 1/20 0.43

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
SCHEMBL4896664 0.86 HDAC6 (0.60) KMT2ALMNAPOLBRAB9AHDAC8
SCHEMBL4878707 0.79 L3MBTL1 (0.47) KMT2AMEN1LMNANPC1POLB
SCHEMBL4748727 0.77 NPC1 (0.52) KMT2AMEN1LMNANPC1POLB
SCHEMBL1169765 0.76 L3MBTL1 (0.57) KMT2AMEN1LMNANPC1POLB
SCHEMBL29490421 0.76 PARP10 (0.57) KMT2AMEN1LMNANPC1POLB
SCHEMBL3314110 0.75 L3MBTL1 (0.62) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL29860055 0.75 L3MBTL1 (0.62) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL4743413 0.74 SMN1; SMN2 (0.57) KMT2AMEN1LMNANPC1POLB
SCHEMBL4890167 0.74 HDAC6 (0.51) KMT2AMEN1LMNARAB9AL3MBTL1
SCHEMBL27601093 0.74 HPGD (0.60) KMT2AMEN1LMNANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809846-B2 Organic molecular memories and organic molecules for organic molecular memories KABUSHIKI KAISHA TOSHIBA (JP) 2014-08-19 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (1 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 KMT2A 4463/4885MEN1 3669/4885LMNA 4687/4885

“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.