SCHEMBL976579

SCHEMBL976579

CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)c(C(=O)NO)s3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM4 Q14833 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 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
SCHEMBL974223 0.90 SMN1; SMN2 (0.48) L3MBTL1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL975616 0.83 CDC7 (0.46) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL12922068 0.79 CDC7 (0.47) KMT2ATP53NPC1HSD17B10SMN1; SMN2
SCHEMBL974949 0.74 CDC7 (0.46) L3MBTL1KMT2AMAPTTP53NPC1
SCHEMBL975197 0.74 UBE2M (0.51) KMT2AMEN1MAPTTP53HPGD
SCHEMBL975777 0.73 CDC7 (0.48) ACHESMN1; SMN2
SCHEMBL975813 0.73 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1MAPTNPC1
SCHEMBL4808487 0.73 HDAC3 (0.68)
SCHEMBL976945 0.70 CDC7 (0.55) KMT2AMEN1NPC1
SCHEMBL17591888 0.70 L3MBTL1 (1.00) L3MBTL1KMT2AMEN1MAPT

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 L3MBTL1 610/4885KMT2A 60/4885MEN1 3189/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 L3MBTL1 610/4885KMT2A 60/4885MEN1 3189/4885

“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.