SCHEMBL4538595

SCHEMBL4538595

O=C(NO)C(Oc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MAOB P27338 2/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 3/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 2/20 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
SCHEMBL2844450 0.78 HDAC7 (0.55) ALDH1A1HPGDKDM4EKMT2A
SCHEMBL4541489 0.77 KDM4E (0.48) ALDH1A1MAPTRAB9AKDM4EKMT2A
SCHEMBL2844443 0.76 CYP1A2 (0.50) ALDH1A1PKM
SCHEMBL4541539 0.75 MEN1 (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4533340 0.75 MEN1 (0.47) ALDH1A1MAPTRAB9AHPGDKDM4E
SCHEMBL4538126 0.75 KLK7 (0.53) ALDH1A1MAPTRAB9AHPGDKDM4E
SCHEMBL4541582 0.75 HDAC4 (0.49) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4534419 0.75 HDAC4 (0.49) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL8791812 0.74 EDNRA (0.55) EDNRAALDH1A1MAPTMAOBRAB9A
SCHEMBL20490396 0.74 HDAC3 (0.55) EDNRAALDH1A1RAB9AHPGDTSHR

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
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US 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
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US 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 EDNRA 3206/4885ALDH1A1 532/4885MAPT 1533/4885

“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.