SCHEMBL974404

SCHEMBL974404

O=C(NO)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.63
SLC6A4 P31645 1/20 0.63
MAPT P10636 1/20 0.54
HTT P42858 3/20 0.51
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
HDAC7 Q8WUI4 2/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MPO P05164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48

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
SCHEMBL8089215 0.85 CHRNB2 (0.62) SLC6A3HTTCHRNB2CHRNB4CHRNA3
SCHEMBL975666 0.85 CHRNB2 (0.67) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21590157 0.84 SLC6A4 (0.66) SLC6A3SLC6A4MAPTHTTCHRNB2
SCHEMBL27460658 0.83 HDAC7 (0.67) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13845096 0.82 HDAC7 (0.66) SLC6A3SLC6A4HTTCHRNB2CHRNB4
SCHEMBL13485786 0.81 GAA (0.59) GAASMN1; SMN2LMNA
SCHEMBL975433 0.81 HTT (0.62) MAPTHTTCHRNB2CHRNB4CHRNA3
SCHEMBL28231510 0.81 SLC6A3 (0.66) SLC6A3SLC6A4MAPTHTTCHRNB2
SCHEMBL3026631 0.80 GAA (0.64) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12922077 0.80 DHODH (0.45) SLC6A3SLC6A4MAPTHTTCHRNB2

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 11 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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP 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 SLC6A3 3290/4885SLC6A4 3030/4885MAPT 2336/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SLC6A3 3290/4885SLC6A4 3030/4885MAPT 2336/4885

“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.