SCHEMBL2842802

SCHEMBL2842802

O=C(Nc1cccc(C(C(=O)NO)c2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
NPC1 O15118 11/20 0.66
RAB9A P51151 11/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
PKM P14618 3/20 0.66
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
LMNA P02545 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
MAOB P27338 2/20 0.56
SETD7 Q8WTS6 1/20 0.55
CASP3 P42574 2/20 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
SCHEMBL2841988 0.91 RAB9A (0.69) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL20490253 0.82 KCNK3 (0.61) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11238457 0.81 RAB9A (1.00) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL20490394 0.80 NPC1 (0.58) MAPTNPC1RAB9APKMKMT2A
SCHEMBL20490168 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL20490339 0.80 KMT2A (0.53) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2842310 0.80 RAB9A (0.52) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20490456 0.79 HDAC4 (0.53) NPC1RAB9ASMN1; SMN2PKMKMT2A
SCHEMBL20490523 0.79 KCNK3 (0.64) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20490320 0.78 KCNK3 (0.65) NPC1RAB9AKMT2AMEN1TP53

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 MAPT 1533/4885NPC1 803/4885RAB9A 2699/4885

“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.