SCHEMBL1797293

SCHEMBL1797293

COC(=O)c1ccc(CN(Cc2nccn2COCC[Si](C)(C)C)C(=O)c2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CXCR4 P61073 2/20 0.33
CTSD P07339 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
PDE6D O43924 1/20 0.31

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
SCHEMBL1796467 0.84
SCHEMBL1793865 0.76 KMT2A (0.37) ALDH1A1KDM4ELMNAOPRD1
SCHEMBL5546641 0.75 SUCNR1 (0.34) CXCR4
SCHEMBL1793874 0.73 CXCR4 (0.58) CXCR4
SCHEMBL7836831 0.72 MAPT (0.41) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1797701 0.72 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4772025 0.71 LMNA (0.32) LMNA
SCHEMBL1796431 0.71 DGAT1 (0.36) LPAR1LPAR5
SCHEMBL1792636 0.70 ATM (0.37)
SCHEMBL1794950 0.70 SYK (0.37)

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 5 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
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (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 ALDH1A1 305/4885KDM4E 4387/4885LMNA 4424/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 ALDH1A1 334/4885KDM4E 4354/4885LMNA 4419/4885

“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.