SCHEMBL4244329

SCHEMBL4244329

COc1ccc(-c2ccccc2C2(C3CCN(C(C)CCN)CC3)OC=CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
GAA P10253 1/20 0.34
HTR3A P46098 1/20 0.34
HTR7 P34969 2/20 0.33
SLC6A12 P48065 1/20 0.33
HTR1A P08908 1/20 0.33
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 1/20 0.31
ABCB1 P08183 1/20 0.31
BCR P11274 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4245518 0.89 UBE2M (0.37) UBE2MDCUN1D1KCNH2
SCHEMBL4243373 0.88 SIGMAR1 (0.36) UBE2MDCUN1D1HTR7HTR1AALDH1A1
SCHEMBL4244926 0.88 UBE2M (0.33) UBE2MDCUN1D1
SCHEMBL4241263 0.87 SYK (0.35) KMT2AMEN1UBE2MDCUN1D1KCNH2
SCHEMBL4236436 0.86
SCHEMBL4242945 0.86 TNF (0.39) KMT2AMEN1UBE2MDCUN1D1GAA
SCHEMBL4239109 0.86 CCR5 (0.41) UBE2MDCUN1D1
SCHEMBL4240052 0.86
SCHEMBL4236297 0.85 PTGS2 (0.36) MEN1HTR7HTR1A
SCHEMBL4242947 0.77 CCR5 (0.46) KMT2AMEN1UBE2MDCUN1D1GAA

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 KMT2A 4728/4885MEN1 4855/4885UBE2M 4562/4885

“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.