SCHEMBL5278902

SCHEMBL5278902

O=C(COCc1ccc(F)cc1)NCCCCC1CCN(C(=O)NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.47
ACHE P22303 6/20 0.47
SIRT1 Q96EB6 1/20 0.45
DRD2 P14416 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL5280809 0.94 SIRT1 (0.47) BCHEACHESIRT1MEN1MAPT
SCHEMBL5282166 0.90 ACHE (0.53) BCHEACHESIRT1DRD2LMNA
SCHEMBL5278446 0.90 TACR1 (0.45) BCHEACHESIRT1DRD2LMNA
SCHEMBL5282667 0.89 BCHE (0.55) BCHEACHESIRT1DRD2MEN1
SCHEMBL5278312 0.88 SIRT1 (0.46) BCHEACHESIRT1MEN1MAPT
SCHEMBL5279163 0.86 BCHE (0.50) BCHEACHEDRD2MEN1KMT2A
SCHEMBL5291953 0.83 BCHE (0.44) BCHEACHEALDH1A1HTR1AHTR1B
SCHEMBL5281968 0.82 SPR (0.54) BCHEACHESIRT1MEN1KMT2A
SCHEMBL5278655 0.82 BCHE (0.59) BCHEACHEDRD2
SCHEMBL5291489 0.81 BCHE (0.52) BCHEACHESIRT1DRD2LMNA

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 4 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

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 BCHE 1641/4885ACHE 3161/4885SIRT1 89/4885

“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.