SCHEMBL2872075

SCHEMBL2872075

O=C(NO)C(c1ccccc1)c1ccc(OCc2ccc3c(c2)OC(Cc2ccc4c(c2)OCO4)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 2/20 0.44
HPGD P15428 2/20 0.44
EDNRA P25101 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2843698 0.93 MAOB (0.43) NPC1RAB9AMAOBHPGDEDNRA
SCHEMBL2872074 0.76 SMN1; SMN2 (0.46) HPGDEDNRAALDH1A1HTTKMT2A
SCHEMBL2839647 0.74 ALDH1A1 (0.54) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL2841929 0.74 HDAC6 (0.62) MAOBHTT
SCHEMBL2843696 0.73 ALDH1A1 (0.45) HPGDEDNRAALDH1A1HTTKMT2A
SCHEMBL20490396 0.72 HDAC3 (0.55) RAB9AHPGDEDNRAALDH1A1KMT2A
SCHEMBL11698521 0.71 MAOB (0.71) NPC1RAB9AMAOBHPGDALDH1A1
SCHEMBL20490407 0.71 HDAC1 (0.59) MAOBALDH1A1KMT2A
SCHEMBL11616088 0.71 RAB9A (0.61) NPC1RAB9AMAOBHPGDALDH1A1
SCHEMBL2842310 0.71 RAB9A (0.52) NPC1RAB9AHPGDALDH1A1HTT

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 7 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
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US 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 2699/4885MAOB 183/4885

“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.