SCHEMBL976467

SCHEMBL976467

Cc1onc(-c2ccccc2)c1C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
HTT P42858 1/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
GAA P10253 1/20 0.68
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 4/20 0.65
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
LMNA P02545 1/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
ALOX12 P18054 1/20 0.62
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL352886 0.88 TSHR (0.68) TSHRHTTKMT2AMEN1GAA
SCHEMBL1930296 0.86 MEN1 (0.70) TSHRHTTKMT2AMEN1GAA
SCHEMBL5533585 0.84 L3MBTL1 (0.69) TSHRHTTKMT2AMEN1GAA
SCHEMBL13501824 0.84 KMT2A (0.69) TSHRHTTKMT2AMEN1GAA
SCHEMBL316093 0.83 KMT2A (0.76) TSHRHTTKMT2AMEN1GAA
SCHEMBL27722453 0.83 KMT2A (0.76) TSHRHTTKMT2AMEN1GAA
SCHEMBL8632489 0.82 GAA (0.65) TSHRHTTKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL4846563 0.82 KMT2A (0.73) TSHRHTTKMT2AMEN1GAA
SCHEMBL1574735 0.82 KMT2A (0.73) TSHRHTTKMT2AMEN1GAA
SCHEMBL12585052 0.81 MAPK1 (0.79) TSHRHTTKMT2AMAPK1SMN1; SMN2

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 13 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
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO 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
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US 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 (3 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 TSHR 2697/4885HTT 878/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TSHR 2697/4885HTT 878/4885KMT2A 60/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA TSHR 3494/4885HTT 3076/4885KMT2A 764/4885

“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.