SCHEMBL4533340

SCHEMBL4533340

O=C(NO)C(Oc1ccc2c(c1)CCCC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
MAPK14 Q16539 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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 0.79 HDAC7 (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4541489 0.79 KDM4E (0.48) MEN1KMT2APPARGHDAC3HDAC4
SCHEMBL2844443 0.77 CYP1A2 (0.50) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4541539 0.76 MEN1 (0.50) MEN1KMT2AHTTNPSR1HDAC3
SCHEMBL4534419 0.76 HDAC4 (0.49) MEN1KMT2APPARGHDAC3HDAC4
SCHEMBL4538126 0.76 KLK7 (0.53) MEN1KMT2ANPSR1PPARGHDAC3
SCHEMBL4541582 0.76 HDAC4 (0.49) MEN1KMT2AHTTNPSR1PPARG
SCHEMBL4538595 0.75 EDNRA (0.46) KMT2ATSHRHTTNPC1RAB9A
SCHEMBL4529074 0.74 HDAC8 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4536194 0.74 HDAC1 (0.46) MEN1KMT2AHDAC3HDAC4HDAC1

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 6 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

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 MEN1 1925/4885KMT2A 58/4885HSD17B10 267/4885

“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.