SCHEMBL1063153

SCHEMBL1063153

CC(=O)Nc1sc(Cc2ccc(C(=O)N(N)c3ccccc3)cc2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HSD17B10 Q99714 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX15 P16050 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
MAPK10 P53779 1/20 0.53
POLB P06746 1/20 0.41
HTT P42858 1/20 0.39
IKBKB O14920 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL6131267 0.90 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL211601 0.83 MAPT (0.42) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL1063144 0.78 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL7002312 0.76 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL7003325 0.76 MAPT (0.64) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL5096639 0.75 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL7002936 0.74 KDM4E (0.62) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL24489106 0.74 ALDH1A1 (0.76) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL24489088 0.73 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL7002981 0.72 MAPT (0.65) ALDH1A1HPGDKDM4EMAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885HPGD 1023/4885KDM4E 123/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885HPGD 1023/4885KDM4E 123/4885

“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.