SCHEMBL2844453

SCHEMBL2844453

O=C(NO)C(c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
RAC1 P63000 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACP1 P24666 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.42
PIK3CB P42338 2/20 0.41
PIK3CA P42336 1/20 0.41
BACE1 P56817 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
USP2 O75604 1/20 0.41
CASR P41180 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL4533614 0.84 ACP1 (0.45) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL2838346 0.83 MAPT (0.45) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL4531868 0.83 HDAC4 (0.56) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2841246 0.82 HDAC8 (0.60) KMT2AMAPTMEN1ALDH1A1HDAC8
SCHEMBL8117284 0.82 HDAC4 (0.46) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2842604 0.81 MAPT (0.56) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL2843895 0.79 HDAC3 (0.55) KMT2AMAPTMEN1ALDH1A1HDAC8
SCHEMBL4536641 0.77 MAPT (0.43) KMT2AMAPTMEN1ALDH1A1HDAC8
SCHEMBL2840930 0.76 HDAC8 (0.64) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL2840180 0.76 NPC1 (0.54) KDM4EKMT2AMAPTMEN1ALDH1A1

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 9 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

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 KDM4E 91/4885KMT2A 58/4885MAPT 1533/4885

“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.