SCHEMBL977559

SCHEMBL977559

O=C(NO)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
KDM4E B2RXH2 3/20 0.78
MAPT P10636 4/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
POLB P06746 1/20 0.74
KMT2A Q03164 1/20 0.60
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 1/20 0.53
HSD11B1 P28845 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MET P08581 1/20 0.52
AXL P30530 1/20 0.52
DDR1 Q08345 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
DDR2 Q16832 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
SCHEMBL28705337 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL6527811 0.87 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL10367084 0.87 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2858127 0.86 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL595690 0.85 MAPT (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2854027 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2605690 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL10365407 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL10365365 0.83 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL1063935 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTSMN1; SMN2POLB

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
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
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 ALDH1A1 699/4885KDM4E 165/4885MAPT 2336/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885KDM4E 165/4885MAPT 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.