SCHEMBL4538592

SCHEMBL4538592

O=C(NO)C(Sc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
ADAM17 P78536 1/20 0.56
PKM P14618 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PAX8 Q06710 1/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2846675 0.89 LMNA (0.72) LMNAADAM17PKMMEN1KMT2A
SCHEMBL27798461 0.86 LMNA (0.60) LMNAADAM17PKMMEN1KMT2A
SCHEMBL2841080 0.86 LMNA (0.59) LMNAADAM17PKMMEN1KMT2A
SCHEMBL8119311 0.84 LMNA (0.62) LMNAADAM17PKMMEN1KMT2A
SCHEMBL4540229 0.84 LMNA (0.54) LMNAADAM17PKMMEN1KMT2A
SCHEMBL11562132 0.83 CYP2C9 (0.59) LMNAPKMMEN1KMT2ANPSR1
SCHEMBL28703755 0.83 CYP2C9 (0.59) LMNAPKMMEN1KMT2ANPSR1
SCHEMBL933431 0.82 CYP2C9 (0.53) LMNAPKMMEN1KMT2ANPSR1
SCHEMBL27777212 0.81 LMNA (0.58) LMNAADAM17PKMMEN1KMT2A
SCHEMBL11559710 0.81 EPHX1 (0.57) LMNAPKMMEN1KMT2ANPSR1

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 LMNA 424/4885ADAM17 1164/4885PKM 457/4885

“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.