SCHEMBL2844463

SCHEMBL2844463

O=C(NO)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.70
HDAC1 Q13547 2/20 0.63
HSD11B1 P28845 3/20 0.51
P2RX7 Q99572 1/20 0.49

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
SCHEMBL2844469 0.98 HDAC4 (0.70) HDAC4HDAC1HSD11B1
SCHEMBL3521822 0.85 HDAC1 (0.55) HDAC4HDAC1HSD11B1P2RX7
SCHEMBL13448598 0.83 HDAC1 (0.56) HDAC4HDAC1HSD11B1P2RX7
SCHEMBL17502816 0.82 HDAC4 (1.00) HDAC4HDAC1
SCHEMBL16132896 0.82 HDAC4 (1.00) HDAC4HDAC1
SCHEMBL21726317 0.81 HSD11B1 (0.56) HDAC4HDAC1HSD11B1P2RX7
SCHEMBL2858456 0.81 ERCC1 (0.58) HDAC1HSD11B1
SCHEMBL16132869 0.81 HDAC4 (1.00) HDAC4HDAC1HSD11B1
SCHEMBL13485795 0.80 HDAC4 (1.00) HDAC4HDAC1
SCHEMBL1807150 0.80 AKR1C1 (0.66) HDAC4HDAC1HSD11B1

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-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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN 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 HDAC4 10/4885HDAC1 1/4885HSD11B1 147/4885

“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.