SCHEMBL4223379

SCHEMBL4223379

CN(C)C(=O)COC(=O)CCn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.42
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CASP1 P29466 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4230426 0.94 CXCR4 (0.44) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL4230314 0.90 CXCR4 (0.43) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL2692946 0.89 CXCR4 (0.45) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL4233793 0.88 CXCR4 (0.45) CXCR4KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4230860 0.88 CXCR4 (0.40) CXCR4KMT2AALDH1A1CASP1KDM4E
SCHEMBL4225603 0.88 CXCR4 (0.42) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL4237781 0.87 CXCR4 (0.44) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL13778402 0.87 CXCR4 (0.44) CXCR4KMT2AMEN1MAPK1POLB
SCHEMBL4235188 0.86 CXCR4 (0.44) CXCR4KMT2AMEN1MAPK1CYP3A4
SCHEMBL4225549 0.86 CXCR4 (0.44) CXCR4KMT2AMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 EP disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP 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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 CXCR4 1/4885KMT2A 4124/4885MEN1 2059/4885

“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.