SCHEMBL2839647

SCHEMBL2839647

O=C(NO)C(c1ccccc1)c1ccc(NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
ALOX15 P16050 3/20 0.54
GAA P10253 3/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 3/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL2862690 0.93 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL2842310 0.91 RAB9A (0.52) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL2839570 0.80 HDAC8 (0.64) ALDH1A1MEN1KMT2AHTTHDAC3
SCHEMBL20490396 0.80 HDAC3 (0.55) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL9672474 0.79 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL2841988 0.79 RAB9A (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2844139 0.78 FFAR1 (0.59) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL2872074 0.78 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2871976 0.78 HIF1A (0.61) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2848418 0.77 HDAC4 (0.60) ALDH1A1MEN1KMT2AMAPTLMNA

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 ALDH1A1 532/4885MEN1 1925/4885KMT2A 58/4885

“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.