SCHEMBL2084430

SCHEMBL2084430

Cn1c(CNCCCCNC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
BRD4 O60885 5/20 0.54
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL30466612 0.87 MAPT (0.70) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL28366489 0.87 MAPT (0.70) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL3539326 0.85 ALDH1A1 (0.72) MAPTBRD4ALDH1A1RECQLHDAC6
SCHEMBL2084114 0.84 MAPK1 (0.56) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL30605183 0.77 NPC1 (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29642302 0.77 BRD4 (0.52) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL20232640 0.77 BRD4 (0.52) MAPTBRD4ALDH1A1MEN1KMT2A
SCHEMBL21744309 0.76 BCHE (0.47) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL30069410 0.76 BCHE (0.47) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL18661251 0.76 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (2 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 MAPT 4625/4885BRD4 2460/4885ALDH1A1 357/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 MAPT 4426/4885BRD4 1401/4885ALDH1A1 424/4885

“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.