SCHEMBL973933

SCHEMBL973933

O=C(NO)c1c[nH]cc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HDAC7 Q8WUI4 5/20 0.54
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MPO P05164 1/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45

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
SCHEMBL974440 0.80 MEN1 (0.54) ALDH1A1HDAC7MEN1MAPTKMT2A
SCHEMBL4533753 0.80 ALDH1A1 (0.69) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL27634042 0.80 ALDH1A1 (0.81) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL975666 0.79 CHRNB2 (0.67) ALDH1A1HDAC7MEN1KMT2AHTT
SCHEMBL25060944 0.79 HDAC7 (0.69) ALDH1A1HDAC7HTTSMN1; SMN2KDM4E
SCHEMBL5805334 0.77 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL27460658 0.77 HDAC7 (0.67) ALDH1A1HDAC7MEN1KMT2AHTT
SCHEMBL10844866 0.77 ALDH1A1 (0.65) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL1156350 0.76 ALDH1A1 (0.59) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL10844950 0.76 ALDH1A1 (1.00) ALDH1A1MEN1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US claimed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP claimed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO claimed
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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 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 ALDH1A1 699/4885HDAC7 7/4885MEN1 3189/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885HDAC7 7/4885MEN1 3189/4885

“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.