SCHEMBL2275604

SCHEMBL2275604

COCCCOC(=O)N1CCc2cc(C(=O)NOC3CCCCO3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.42
HDAC8 Q9BY41 1/20 0.40
TMPRSS2 O15393 2/20 0.38
NAMPT P43490 1/20 0.37
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
MAP3K5 Q99683 1/20 0.36
ESR2 Q92731 1/20 0.36
MCHR1 Q99705 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL2283593 0.97 MAP3K5 (0.39) HDAC6NAMPTGSTP1GSTM2MAP3K5
SCHEMBL1081890 0.87 POLB (0.42) HDAC6HDAC8NAMPTPOLB
SCHEMBL1024670 0.84 TMEM97 (0.53) HDAC6MAP3K5CHRM4HTR1ACHRM5
SCHEMBL2279957 0.84 NAMPT (0.44) HDAC6HDAC8NAMPT
SCHEMBL2279778 0.84 HDAC6 (0.48) HDAC6HDAC8TMPRSS2GSTP1GSTM2
SCHEMBL1026981 0.84 POLB (0.42) HDAC6NAMPTMAP3K5HRH3POLB
SCHEMBL1027650 0.83 HDAC6 (0.47) HDAC6HDAC8TMPRSS2NAMPTGSTP1
SCHEMBL2273673 0.82 HDAC6 (0.61) HDAC6HDAC8GSTP1GSTM2MCHR1
SCHEMBL1027131 0.81 HDAC6 (0.45) HDAC6HDAC8TMPRSS2ENPP2
SCHEMBL2282394 0.81 TMEM97 (0.57) HDAC6MAP3K5CHRM4HTR1ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 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-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 HDAC6 7/4885HDAC8 10/4885TMPRSS2 1376/4885

“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.