SCHEMBL2839009

SCHEMBL2839009

O=C(NO)C(c1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FAAH O00519 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL2844938 0.91 MEN1 (0.51) SLC6A3MEN1KMT2A
SCHEMBL2847919 0.88 SCN5A (0.47) SLC6A2SLC6A3SCN5ASCN9ATSHR
SCHEMBL2842489 0.81 TSHR (0.52) KMT2AKCNH2HRH3SCN5ASCN9A
SCHEMBL27777305 0.80 SCN5A (0.52) KMT2AKCNH2SCN5ASCN9ATSHR
SCHEMBL2844904 0.80 SCN5A (0.76) MEN1KMT2AKCNH2SCN5ASCN9A
SCHEMBL2846505 0.78 GAA (0.68) MEN1KMT2AKCNH2TSHR
SCHEMBL2838023 0.77 HRH1 (0.51) MEN1KMT2AKCNH2HRH3TSHR
SCHEMBL8120069 0.77 TSHR (0.49) MEN1KMT2ATSHR
SCHEMBL27777257 0.77 ALDH1A1 (0.55) MEN1KMT2AHRH3SCN5ASCN9A
SCHEMBL27777316 0.77 CCR1 (0.59) KMT2AKCNH2SCN5ASCN9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 SLC6A2 2953/4885SLC6A3 3318/4885MEN1 1925/4885

“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.