SCHEMBL4534308

SCHEMBL4534308

O=C(NO)C(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
SLC6A9 P48067 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A3 Q01959 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
MTOR P42345 2/20 0.48
RAB9A P51151 2/20 0.48
KCNK2 O95069 2/20 0.48
KCNH2 Q12809 2/20 0.48
CACNA1C Q13936 2/20 0.48
CYP3A4 P08684 2/20 0.48
HTR2C P28335 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL13789836 0.86 PPARG (0.61) PPARGPPARASLC6A9MEN1KMT2A
SCHEMBL4532941 0.86 GCGR (0.52) SLC6A9MEN1KMT2ACYP2C19RAB9A
SCHEMBL2844450 0.85 HDAC7 (0.55) KMT2AKDM4ECHRM1ALDH1A1HPGD
SCHEMBL4541582 0.84 HDAC4 (0.49) PPARGPPARASLC6A4MEN1KMT2A
SCHEMBL2844443 0.82 CYP1A2 (0.50) PPARGPPARACYP2C19CYP3A4CYP1A2
SCHEMBL4534419 0.81 HDAC4 (0.49) PPARGPPARASLC6A4MEN1KMT2A
SCHEMBL4538126 0.81 KLK7 (0.53) PPARGPPARAMEN1KMT2ANPC1
SCHEMBL4536194 0.79 HDAC1 (0.46) MEN1KMT2ANPC1CYP2C19RAB9A
SCHEMBL4249464 0.79 PPARG (0.61) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL27103619 0.78 SLC6A9 (0.52) PPARGPPARASLC6A9SLC6A4SLC6A2

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 PPARG 1729/4885PPARA 2222/4885SLC6A9 3929/4885

“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.