SCHEMBL5286555

SCHEMBL5286555

O=C(Nc1ccc(I)cc1)OCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
POLB P06746 1/20 0.58
CHRNA7 P36544 2/20 0.56
HDAC1 Q13547 4/20 0.50
HDAC4 P56524 3/20 0.49
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 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
SCHEMBL11563747 0.87 NAMPT (0.77) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8211195 0.86 NAMPT (0.68) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11814496 0.86 NAMPT (0.68) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2056379 0.85 NAMPT (0.67) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4580553 0.85 NAMPT (0.70) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4822201 0.84 NAMPT (0.65) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11561275 0.83 NAMPT (0.64) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2054611 0.83 NAMPT (0.64) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11818293 0.83 KMT2A (0.65) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11559114 0.83 NAMPT (0.64) NAMPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 NAMPT 1262/4885MEN1 2348/4885KMT2A 30/4885

“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.