SCHEMBL4233451

SCHEMBL4233451

c1c[nH]c(CNCc2ccc(CN3CCC4(CCN(C5CCCCC5)CC4)C3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.43
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALOX15 P16050 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
CXCR3 P49682 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL4213602 0.87 CXCR4 (0.43) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4206724 0.86 CXCR4 (0.38) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4201741 0.86 CXCR4 (0.40) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1793097 0.85 CXCR4 (0.49) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4207012 0.85 CXCR4 (0.45) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2697050 0.85 CXCR4 (0.53) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4205306 0.85 CXCR4 (0.44) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4201620 0.83 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2695579 0.82 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2695146 0.82 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
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 1/4885ALDH1A1 274/4885KDM4E 4632/4885

“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.