SCHEMBL2844904

SCHEMBL2844904

O=C(NO)C(c1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.76
SCN9A Q15858 1/20 0.76
ATM Q13315 2/20 0.62
HDAC1 Q13547 4/20 0.60
HDAC4 P56524 3/20 0.60
KCNH2 Q12809 2/20 0.60
MAOB P27338 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 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
SCHEMBL27798370 0.91 SCN5A (0.65) SCN5ASCN9AATMHDAC1HDAC4
SCHEMBL27798555 0.88 SCN5A (0.61) SCN5ASCN9AATMHDAC1MEN1
SCHEMBL20490667 0.88 SCN5A (0.61) SCN5ASCN9AATMHDAC1HDAC4
SCHEMBL27798383 0.88 SCN5A (0.61) SCN5ASCN9AATMHDAC1HDAC4
SCHEMBL27777279 0.88 SCN5A (0.61) SCN5ASCN9AATMHDAC1MAOB
SCHEMBL27798367 0.85 FAAH (0.58) SCN5ASCN9AATMHDAC1MEN1
SCHEMBL27777206 0.83 KMT2A (0.66) SCN5ASCN9AATMHDAC1HDAC4
SCHEMBL9040316 0.83 SCN5A (0.67) SCN5ASCN9AATMHDAC1HDAC4
SCHEMBL27798428 0.83 CYP2D6 (0.59) SCN5ASCN9AHDAC1HDAC4KCNH2
SCHEMBL27798443 0.82 SCN5A (0.53) SCN5ASCN9AHDAC1HDAC4KCNH2

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 SCN5A 254/4885SCN9A 449/4885ATM 3361/4885

“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.