SCHEMBL4580553

SCHEMBL4580553

O=C(Nc1ccc(C(=O)O)cc1)OCc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.70
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 2/20 0.66
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
POLB P06746 1/20 0.60
CHRNA7 P36544 2/20 0.58
HDAC1 Q13547 3/20 0.55
ROCK2 O75116 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51

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
SCHEMBL11563747 0.89 NAMPT (0.77) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL8211195 0.85 NAMPT (0.68) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL5286555 0.85 NAMPT (0.68) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL11814496 0.85 NAMPT (0.68) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL3694153 0.84 POLB (0.68) NAMPTKMT2AALDH1A1MAPTPOLB
SCHEMBL2056379 0.84 NAMPT (0.67) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL4822201 0.83 NAMPT (0.65) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL2434821 0.83 HDAC1 (0.78) NAMPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL11818293 0.82 KMT2A (0.65) NAMPTKMT2AALDH1A1LMNAHTT
SCHEMBL11561275 0.82 NAMPT (0.64) NAMPTKMT2AALDH1A1LMNAHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 NAMPT 243/4885KMT2A 52/4885ALDH1A1 796/4885

“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.