SCHEMBL4772025

SCHEMBL4772025

CCOC(OCC)c1ccc(CN(Cc2nccn2COCC[Si](C)(C)C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
DGAT1 O75907 3/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32
FPR2 P25090 1/20 0.32
KLKB1 P03952 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
F2RL1 P55085 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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
SCHEMBL2697415 0.89 DGAT1 (0.38) LMNADGAT1MEN1MAPTMAPK1
SCHEMBL1796467 0.87
SCHEMBL2697417 0.81 LMNA (0.36) LMNADGAT1MEN1KMT2A
SCHEMBL1798387 0.81 FPR2 (0.33) FPR2MEN1KMT2A
SCHEMBL1793865 0.73 KMT2A (0.37) LMNAKLKB1MEN1MAPTKMT2A
SCHEMBL1797701 0.72 TP53 (0.50) MAPTMAPK1KMT2A
SCHEMBL1797293 0.71 ALDH1A1 (0.39) LMNA
SCHEMBL5546641 0.70 SUCNR1 (0.34) MEN1KMT2A
SCHEMBL4206991 0.70 KLKB1 (0.33) DGAT1FPR2KLKB1MAPT
SCHEMBL4196846 0.70 KLKB1 (0.35) LMNADGAT1KLKB1MEN1KMT2A

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-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 LMNA 4587/4885DGAT1 1809/4885BCHE 3122/4885

“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.