SCHEMBL2847600

SCHEMBL2847600

CN1CCOc2cc(C(=O)Nc3ccc(C(C(=O)NO)c4ccccc4)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MAOB P27338 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC4 P56524 1/20 0.47
MAPT P10636 6/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
NTSR1 P30989 1/20 0.43

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
SCHEMBL8773512 0.81 PTGER3 (0.56) PTGER3KMT2AMEN1NPC1RAB9A
SCHEMBL6125954 0.81 PTGER3 (0.56) PTGER3KMT2AMEN1NPC1RAB9A
SCHEMBL2841988 0.79 RAB9A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14881901 0.77 PTGER3 (0.55) PTGER3KMT2AMEN1NPC1RAB9A
SCHEMBL21254477 0.77 PTGER3 (0.52) PTGER3KMT2AMEN1NPC1RAB9A
SCHEMBL10238352 0.76 SMN1; SMN2 (0.56) PTGER3KMT2AMEN1NPC1RAB9A
SCHEMBL2837576 0.74 NPC1 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2839655 0.73 HDAC2 (0.66) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2848079 0.73 NPC1 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL22495211 0.73 NPC1 (0.56) PTGER3KMT2AMEN1NPC1RAB9A

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP 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
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 PTGER3 3645/4885KMT2A 58/4885MEN1 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.