SCHEMBL975813

SCHEMBL975813

CCOC(=O)N1CCC(c2nc(-c3ccccc3)c(C(=O)NO)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
P2RY12 Q9H244 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44

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 0.86 CDC7 (0.47) ALDH1A1HSD17B10HPGDGAAHTT
SCHEMBL974949 0.83 CDC7 (0.46) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL975197 0.83 UBE2M (0.51) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL17766765 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL975828 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL16391928 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL975777 0.81 CDC7 (0.48) SMN1; SMN2LMNACDC7DBF4
SCHEMBL975616 0.81 CDC7 (0.46) ALDH1A1HPGDGAAHTTMEN1
SCHEMBL974223 0.78 SMN1; SMN2 (0.48) L3MBTL1HPGDTSHRHTTMEN1
SCHEMBL976945 0.77 CDC7 (0.55) ALDH1A1MEN1KMT2ANPC1MAPK1

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 9 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

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 610/4885P2RY12 4498/4885ALDH1A1 699/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 L3MBTL1 610/4885P2RY12 4498/4885ALDH1A1 699/4885

“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.