SCHEMBL5280748

SCHEMBL5280748

COc1ccc(CCn2c(CCCCCNC(=O)COCc3ccc(F)cc3)nc3ccccc32)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.47
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CSF1R P07333 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL5278888 0.84 GAA (0.56) ALDH1A1SMN1; SMN2TSHRHTTGAA
SCHEMBL5277762 0.83 GAA (0.48) HTTGAALMNATP53MEN1
SCHEMBL5284035 0.78 GAA (0.48) ALDH1A1GAALMNATP53NPSR1
SCHEMBL6037909 0.74 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6038203 0.74 GAA (0.48) ALDH1A1SMN1; SMN2HTTGAALMNA
SCHEMBL6376374 0.72 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2HTTLMNAMEN1
SCHEMBL5276635 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6037949 0.70 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNATP53NPSR1
SCHEMBL6038072 0.70 POLB (0.60) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL6037891 0.70 KMT2A (0.45) SMN1; SMN2TSHRLMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
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
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 ALDH1A1 781/4885TDP1 1008/4885SMN1; SMN2 3733/4885

“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.