SCHEMBL5289399

SCHEMBL5289399

Cn1c(NC(=O)N2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM4 P08173 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5491829 0.89 MAPT (0.45) LMNAHTTNPC1RAB9ACHRM4
SCHEMBL5291871 0.83 FAAH (0.51) CHRM4KMT2AMEN1GAAALDH1A1
SCHEMBL5281998 0.80 POLB (0.41) LMNAHTTNPC1RAB9AKMT2A
SCHEMBL6037910 0.78 CTSS (0.51) LMNAGAAALDH1A1
SCHEMBL5279075 0.77 WNT3 (0.45) LMNANPC1RAB9ACHRM4KMT2A
SCHEMBL5282679 0.77 ALDH1A1 (0.45) CHRM4KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5279924 0.77 KMT2A (0.48) CHRM4KMT2ACYP1A2CYP2C19GAA
SCHEMBL6038154 0.77 SMO (0.40) CHRM4KMT2AMAPTSMN1; SMN2
SCHEMBL5277959 0.77 CHRM4 (0.42) CHRM4KMT2A
SCHEMBL5292648 0.76 L3MBTL1 (0.49) HTTKMT2APKMGAAMAPT

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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 851/4885HTT 846/4885NPC1 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.