SCHEMBL1796182

SCHEMBL1796182

CCCN(CCC)C(CCCN(Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)N(Cc1nccn1COCC[Si](C)(C)C)Cc1nccn1COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR6 P51684 1/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
EPOR P19235 5/20 0.31
BCHE P06276 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
SCHEMBL1796181 0.83 CXCR4 (0.38)
SCHEMBL1796431 0.80 DGAT1 (0.36) DGAT1CCR6PAX8EPOR
SCHEMBL2697415 0.79 DGAT1 (0.38) DGAT1MEN1MAPTMAPK1KMT2A
SCHEMBL1792634 0.75 MAPT (0.38) DGAT1CCR6PAX8MEN1MAPT
SCHEMBL27343331 0.67 CCR6 (0.56) CYP3A4CCR6PAX8MAPK1
SCHEMBL8900957 0.67 CCR6 (0.51) CYP3A4CCR6PAX8MAPK1
SCHEMBL28271583 0.66 CCR6 (0.58) CYP3A4CCR6PAX8MAPK1
SCHEMBL1793874 0.65 CXCR4 (0.58)
SCHEMBL27012311 0.64 ALDH1A1 (0.41) CYP3A4MEN1MAPTMAPK1KMT2A
SCHEMBL1793865 0.64 KMT2A (0.37) MEN1MAPTKMT2A

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-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 DGAT1 3177/4885CYP3A4 1470/4885CYP2D6 1226/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 DGAT1 3306/4885CYP3A4 1461/4885CYP2D6 1188/4885

“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.