SCHEMBL975438

SCHEMBL975438

O=C(Nc1ccc2sc(C(=O)NO)c(-c3ccccc3)c2c1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
PTPN1 P18031 1/20 0.48
ENPP2 Q13822 3/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 2/20 0.45
POLB P06746 1/20 0.44
JAK2 O60674 1/20 0.42
HDAC1 Q13547 1/20 0.42
BTK Q06187 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
SCHEMBL978418 0.78 HDAC1 (0.59) PTPN1HDAC1
SCHEMBL1887693 0.77 HDAC1 (0.69) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL1896132 0.75 HDAC1 (0.69) HDAC1
SCHEMBL974545 0.74 HDAC1 (0.57) ALDH1A1SMN1; SMN2HDAC1
SCHEMBL12922067 0.73 HDAC1 (0.62) NPC1ALDH1A1MAPTRAB9AATM
SCHEMBL1082274 0.70 BRD4 (0.50) ALDH1A1MAPTTSHRSMN1; SMN2HDAC1
SCHEMBL8866913 0.70 HDAC1 (0.56) MGLLPTPN1ENPP2NPC1ALDH1A1
SCHEMBL8867613 0.69 MGLL (0.56) MGLLPTPN1ENPP2NPC1ALDH1A1
SCHEMBL30456874 0.68 MAPT (0.53) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL25673289 0.68 MAPT (0.53) MGLLENPP2NPC1ALDH1A1TP53

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-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
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 MGLL 1441/4885PTPN1 2341/4885ENPP2 2955/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MGLL 1441/4885PTPN1 2341/4885ENPP2 2955/4885

“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.