SCHEMBL975197

SCHEMBL975197

O=C(NO)c1sc(C2CCN(C(=O)c3ccccc3)CC2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.51
DCUN1D1 Q96GG9 9/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 1/20 0.51
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL12922068 0.88 CDC7 (0.47) UBE2MDCUN1D1LMNATP53CDC7
SCHEMBL974949 0.87 CDC7 (0.46) UBE2MDCUN1D1LMNATP53CDC7
SCHEMBL975813 0.83 L3MBTL1 (0.48) LMNACDC7DBF4MAPTMEN1
SCHEMBL975777 0.82 CDC7 (0.48) LMNACDC7DBF4HDAC3HDAC4
SCHEMBL975616 0.82 CDC7 (0.46) LMNACDC7DBF4MAPTMEN1
SCHEMBL974223 0.81 SMN1; SMN2 (0.48) LMNACDC7DBF4MAPTMEN1
SCHEMBL976945 0.79 CDC7 (0.55) CDC7DBF4MEN1KMT2AALDH1A1
SCHEMBL976579 0.74 L3MBTL1 (0.53) TP53MAPTMEN1KMT2AHPGD
SCHEMBL21392777 0.73 UBE2M (0.82) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL20027736 0.73 BTK (0.56) CDC7DBF4MAPTCYP1A2ALDH1A1

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 UBE2M 1456/4885DCUN1D1 1187/4885LMNA 357/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 UBE2M 1456/4885DCUN1D1 1187/4885LMNA 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.