SCHEMBL2843696

SCHEMBL2843696

O=C(NO)C(c1ccccc1)c1cccc(OC(Cc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
EDNRA P25101 5/20 0.45
HPGD P15428 1/20 0.44
GPR55 Q9Y2T6 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
CNR1 P21554 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL2872074 0.94 SMN1; SMN2 (0.46) ALDH1A1HTTEDNRAHPGDGPR55
SCHEMBL2843698 0.77 MAOB (0.43) ALDH1A1HTTEDNRAHPGDKMT2A
SCHEMBL2842310 0.77 RAB9A (0.52) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL2839647 0.77 ALDH1A1 (0.54) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL20490456 0.74 HDAC4 (0.53) ALDH1A1HPGDSMN1; SMN2CNR1MEN1
SCHEMBL2843693 0.74 ALDH1A1 (0.42) ALDH1A1HTTEDNRAHPGDMEN1
SCHEMBL20490396 0.74 HDAC3 (0.55) ALDH1A1EDNRAHPGDMEN1KMT2A
SCHEMBL2872075 0.73 NPC1 (0.48) ALDH1A1HTTEDNRAHPGDKMT2A
SCHEMBL2843918 0.72 KDM4E (0.57) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL2862690 0.70 MAPT (0.49) ALDH1A1HTTHPGDSMN1; SMN2MEN1

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 ALDH1A1 532/4885HTT 1010/4885EDNRA 3206/4885

“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.