SCHEMBL4540229

SCHEMBL4540229

O=C(NO)C(Sc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.54
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
POLB P06746 1/20 0.48
EPHX1 P07099 1/20 0.48
ADAM17 P78536 1/20 0.47
MAPT P10636 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PAX8 Q06710 1/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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 0.85 LMNA (0.72) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL4533381 0.84 LMNA (0.55) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL934324 0.84 EPHX1 (0.51) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL4538592 0.84 LMNA (0.58) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL4535734 0.83 EPHX1 (0.70) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL4534233 0.83 LMNA (0.57) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL4532011 0.80 MAPT (0.60) LMNAPKMNPSR1ADAM17MAPT
SCHEMBL8114387 0.80 ATM (0.51) LMNAPKMMAPK1MEN1KMT2A
SCHEMBL2839882 0.79 ADAM17 (0.55) LMNAPKMMAPK1NPSR1EPHX1
SCHEMBL933187 0.79 NPSR1 (0.52) LMNAMAPK1MEN1KMT2ANPSR1

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 424/4885PKM 457/4885MAPK1 2141/4885

“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.