SCHEMBL2085376

SCHEMBL2085376

Cc1cc(Cl)cnc1CNC(C)(C)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.38
HDAC6 Q9UBN7 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
DPP4 P27487 1/20 0.33
IMPDH2 P12268 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2083874 0.87 CXCR4 (0.38) ANO1HDAC6MAPTNPSR1SMN1; SMN2
SCHEMBL4032120 0.70 RAB9A (0.39) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL24451411 0.69 SMN1; SMN2 (0.45) HDAC6SMN1; SMN2DPP4IMPDH2TDP1
SCHEMBL2055586 0.63 SMN1; SMN2 (0.50) HDAC6KDM4ESMN1; SMN2DPP4IMPDH2
SCHEMBL12886350 0.63 CRHR1 (0.39) PTGS1PTGS2KMT2ALMNAHSP90AA1
SCHEMBL4382200 0.62 KDM4E (0.54) PTGS1PTGS2MAPTKDM4ESMN1; SMN2
SCHEMBL17221806 0.62 SCN4A (0.37) DPP4HSP90AA1HTT
SCHEMBL24449646 0.62 SMN1; SMN2 (0.48) HDAC6KDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL16140172 0.61 SMN1; SMN2 (0.48) HDAC6PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL19862563 0.61 SMN1; SMN2 (0.47) HDAC6MAPTKDM4ESMN1; SMN2THRB

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 5 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
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
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 ANO1 2523/4885HDAC6 3403/4885PTGS1 571/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ANO1 2598/4885HDAC6 2532/4885PTGS1 942/4885

“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.