SCHEMBL977581

SCHEMBL977581

O=C(NO)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 2/20 0.69
RAB9A P51151 1/20 0.69
CDK2 P24941 6/20 0.68
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
CA12 O43570 1/20 0.63
CA9 Q16790 1/20 0.63
AURKA O14965 4/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDR P35968 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL976547 0.90 AURKA (0.74) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL22095571 0.87 MEN1 (0.89) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL4257667 0.86 ALDH1A1 (0.72) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL22095215 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL7967327 0.84 MEN1 (0.67) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL23928515 0.83 AURKA (0.79) MEN1KMT2AMAPTLMNACA12
SCHEMBL22095047 0.82 LMNA (0.85) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL22095086 0.82 AURKA (0.85) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL22095616 0.82 MEN1 (0.77) MEN1KMT2AALDH1A1RAB9ACDK2
SCHEMBL22095570 0.82 MEN1 (0.82) MEN1KMT2AALDH1A1RAB9ACDK2

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 MEN1 3189/4885KMT2A 60/4885ALDH1A1 699/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885ALDH1A1 699/4885

“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.