SCHEMBL6038173

SCHEMBL6038173

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.43
CHRM4 P08173 3/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL5287833 0.81 LMNA (0.43) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL5281968 0.80 SPR (0.54) MEN1KMT2ACHRM4
SCHEMBL5282166 0.78 ACHE (0.53) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5291871 0.77 FAAH (0.51) MEN1KMT2ASMN1; SMN2FAAHALDH1A1
SCHEMBL5280999 0.77 POLB (0.50) ALDH1A1CHRM4
SCHEMBL6037985 0.76 BCHE (0.55) MAPTMEN1KMT2AALDH1A1
SCHEMBL6038046 0.76 ACHE (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6037910 0.76 CTSS (0.51) LMNAALDH1A1TSHRHSD17B10
SCHEMBL6037996 0.76 LMNA (0.53) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL5282667 0.75 BCHE (0.55) MEN1KMT2ACHRM4

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 2 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 LMNA 851/4885MAPT 3848/4885NPC1 3663/4885

“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.