SCHEMBL976186

SCHEMBL976186

O=C(NO)c1cnc(-c2ccccc2)nc1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
LMNA P02545 5/20 0.65
ALDH1A1 P00352 3/20 0.65
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.43

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
SCHEMBL976971 0.93 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL6016420 0.86 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL976960 0.81 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL6016478 0.78 MEN1 (0.69) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL10377441 0.77 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL976389 0.76 MEN1 (0.75) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL11738224 0.75 MEN1 (0.70) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL5218723 0.74 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL6016346 0.73 KMT2A (0.56) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL5217957 0.73 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1MAPT

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 10 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
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 60/4885LMNA 357/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885LMNA 357/4885

“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.