SCHEMBL2611638

SCHEMBL2611638

C=CCOC1CC(n2cc(C#CCC)c(N)nc2=O)OC1CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 6/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ DNMT3B Q9UBC3 2/20 0.35
▸ ALB P02768 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RNASE1 P07998 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL2611639 0.86 ALB (0.32) DNMT1ADRB1ALB
SCHEMBL887493 0.86 DNMT1 (0.36) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL22814998 0.86 DNMT1 (0.36) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL2148305 0.86 DNMT1 (0.36) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL2148299 0.86 DNMT1 (0.36) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL24090518 0.84 RNASE1 (0.43) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL13804747 0.84 DNMT1 (0.33) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL12047367 0.84 DNMT1 (0.33) DNMT1ADRB1DNMT3BALBPOLB
SCHEMBL21538135 0.83 DNMT1 (0.36) DNMT1ADRB1DNMT3BALB
SCHEMBL15143812 0.83 DNMT1 (0.36) DNMT1ADRB1DNMT3BALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362737-A1 MODIFIED NUCLEOTIDES SOLEXA LIMITED (GB) 2016-12-15 — — US disclosed
US-9388464-B2 Modified nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2016-07-12 — — US disclosed
US-20160032378-A1 MODIFIED NUCLEOTIDES SOLEXA LIMITED (GB) 2016-02-04 — — US disclosed
US-9121060-B2 Modified nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2015-09-01 — — US disclosed
US-20130197209-A1 MODIFIED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2013-08-01 — — US disclosed
US-20120095201-A1 MODIFIED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2012-04-19 — — 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 (3 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-20160362737-A1 MODIFIED NUCLEOTIDES ADAR, NT5C2, NSUN2 DNMT1 235/4885ADRB1 2081/4885DNMT3B 318/4885
US-20130197209-A1 MODIFIED NUCLEOTIDES ADAR, NT5C2, NSUN2 DNMT1 241/4885ADRB1 2083/4885DNMT3B 324/4885
US-20120095201-A1 MODIFIED NUCLEOTIDES RNMT, NSUN2, NSUN3 DNMT1 173/4885ADRB1 2971/4885DNMT3B 757/4885

“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.

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