SCHEMBL976450

SCHEMBL976450

O=C(NO)c1cc(-c2cccc(N3CCOCC3)c2)n(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ MGLL Q99685 3/20 0.53
▸ PTGS2 P35354 3/20 0.50
▸ SMPD1 P17405 3/20 0.50
▸ CACNA1G O43497 2/20 0.50
▸ CACNA1H O95180 2/20 0.50
▸ RPA1 P27694 1/20 0.50
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MALT1 Q9UDY8 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ KMO O15229 1/20 0.46

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
SCHEMBL1075033 0.87 MMP2 (0.47) PTGS2HDAC1HDAC3HDAC2HDAC6
SCHEMBL15474346 0.87 HDAC1 (0.43) CNR1CNR2MGLLPTGS2SMPD1
SCHEMBL974118 0.85 SLC16A3 (0.52) SMPD1CACNA1GCACNA1HHDAC1HDAC3
SCHEMBL974577 0.84 SMPD1 (0.60) CNR1CNR2PTGS2SMPD1RPA1
SCHEMBL15579545 0.82 RPA1 (0.57) CNR1CNR2SMPD1CACNA1GCACNA1H
SCHEMBL15474332 0.79 RPA1 (0.65) CNR1CNR2SMPD1CACNA1GCACNA1H
SCHEMBL15472788 0.79 MALT1 (0.46) CNR1CNR2MGLLPTGS2MALT1
SCHEMBL15576812 0.78 NPY5R (0.46) PTGS2MALT1MEN1KMT2A
SCHEMBL3719425 0.74 LMNA (0.49) MGLLPTGS2MEN1KMT2AFAAH
SCHEMBL11210288 0.71 LMNA (0.68) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CNR1 1786/4885CNR2 2972/4885MGLL 1441/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CNR1 1786/4885CNR2 2972/4885MGLL 1441/4885

“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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