SCHEMBL4525103

SCHEMBL4525103

CCOC(=O)CCc1cccc(CN(Cc2ncc[nH]2)Cc2nccn2CCCN2CCC3(CCN(CC(C)C)CC3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.46
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 4/20 0.30
USP2 O75604 2/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2D6 P10635 2/20 0.30
CYP1A2 P05177 1/20 0.30
KCNA3 P22001 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
SCHEMBL4068813 0.94 CXCR4 (0.49) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4075136 0.92 CXCR4 (0.38) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4068923 0.92 CXCR4 (0.48) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4067135 0.91 CXCR4 (0.37) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4075342 0.89 CXCR4 (0.49) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4068429 0.89 MAPT (0.36) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4077532 0.88 CXCR4 (0.48) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4068773 0.88 CXCR4 (0.49) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4071713 0.88 CXCR4 (0.51) CXCR4MEN1KMT2AMAPK1MAPT
SCHEMBL4519505 0.88 CXCR4 (0.49) CXCR4MEN1KMT2AMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 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 (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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CXCR4 1/4885MEN1 2211/4885KMT2A 4395/4885

“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.