SCHEMBL2846324

SCHEMBL2846324

O=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 4/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
LMNA P02545 2/20 0.56
GFER P55789 1/20 0.56
HTT P42858 1/20 0.56
HDAC1 Q13547 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL20490252 0.89 KCNK3 (0.61) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2839655 0.80 HDAC2 (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1929165 0.80 NPC1 (0.85) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8117004 0.79 HDAC2 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4534169 0.79 PKM (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20490356 0.79 POLB (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL31228835 0.78 NPC1 (0.82) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12218063 0.77 NPC1 (0.75) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2847561 0.77 HTT (0.63) RAB9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11887623 0.77 MEN1 (1.00) NPC1RAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN claimed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 NPC1 803/4885RAB9A 2699/4885MEN1 1925/4885

“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.