SCHEMBL2085657

SCHEMBL2085657

N#Cc1ccc(CNC2CCCc3ccccc32)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 5/20 0.49
DHODH Q02127 1/20 0.47
PRMT5 O14744 1/20 0.44
DHFR P00374 1/20 0.41

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
SCHEMBL2082282 0.83 HDAC1 (0.54) ALDH1A1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL6256620 0.80 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL6253451 0.79 KDM4E (0.53) ALDH1A1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL6254818 0.72 KDM4E (0.58) ALDH1A1LMNAKMT2AKDM4EPRMT5
SCHEMBL6253237 0.72 KDM4E (0.51) ALDH1A1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL8249322 0.72 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL6251273 0.72 KMT2A (0.58) ALDH1A1LMNAKMT2AKDM4EPRMT5
SCHEMBL10649040 0.71 MAOA (0.59) ALDH1A1LMNAL3MBTL1KMT2AKDM4E
SCHEMBL7576759 0.71 KDM4E (0.60) ALDH1A1KMT2AKDM4EPRMT5DHFR
SCHEMBL18995758 0.71 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AKDM4EDHODH

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 ALDH1A1 357/4885LMNA 4525/4885L3MBTL1 2244/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ALDH1A1 424/4885LMNA 4691/4885L3MBTL1 2510/4885

“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.