SCHEMBL976389

SCHEMBL976389

O=C(NO)c1cnc(-c2ccccc2)nc1Sc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.75
KMT2A Q03164 12/20 0.75
HPGD P15428 3/20 0.75
CRHBP P24387 2/20 0.63
CRHR2 Q13324 2/20 0.63
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.59
POLB P06746 2/20 0.49
LMNA P02545 3/20 0.48
HDAC6 Q9UBN7 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 1/20 0.42

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 0.79 MEN1 (0.74) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL14426741 0.77 MEN1 (0.70) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL976186 0.76 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL976960 0.70 MEN1 (0.61) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4559784 0.69 PTPN11 (0.48) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL4562795 0.69 CYP1A2 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL25060943 0.68 HDAC7 (0.45) MAPTGAAHDAC6TDP1
SCHEMBL24263677 0.67 HPGD (0.60) HPGDHDAC6
SCHEMBL25060882 0.66 SIRT1 (0.49) MAPTGAAHDAC6TDP1
SCHEMBL3788527 0.65 MEN1 (0.60) MEN1KMT2AHPGDCRHBPCRHR2

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 60/4885HPGD 326/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885HPGD 326/4885

“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.