SCHEMBL6038103

SCHEMBL6038103

CN(Cc1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.48
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MPO P05164 6/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ACHE P22303 2/20 0.38
PPARG P37231 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
BCHE P06276 1/20 0.38
SLC6A4 P31645 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL6038137 0.93 ACHE (0.48) SPRMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6038078 0.91 MEN1 (0.42) SPRMEN1KMT2AACHERAB9A
SCHEMBL6038069 0.81 SPR (0.49) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL6038340 0.81 SPR (0.51) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL6038106 0.80 SPR (0.54) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL6038156 0.80 SPR (0.58) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL6038027 0.79 NAMPT (0.56) KMT2AACHEMAPT
SCHEMBL6037895 0.77 MEN1 (0.47) MEN1KMT2ARAB9AMAPT
SCHEMBL6038113 0.76 ACHE (0.51) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL6038140 0.75 HTR2A (0.60) SPRMTNR1AMTNR1BMEN1KMT2A

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 SPR 835/4885NOTUM 2788/4885MTNR1A 2087/4885

“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.