SCHEMBL5281998

SCHEMBL5281998

Cn1c(CNC(=O)N2CCC(CCCCNC(=O)COCc3ccc(F)cc3)C2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL5279015 0.94 GAA (0.43) POLBGAAALDH1A1MAPTPKM
SCHEMBL5491829 0.90 MAPT (0.45) POLBGAAALDH1A1MAPTPKM
SCHEMBL5289399 0.80 LMNA (0.47) GAAALDH1A1MAPTPKMNPC1
SCHEMBL5278888 0.79 GAA (0.56) GAAALDH1A1MAPTPKMNPC1
SCHEMBL5279858 0.76 GPR119 (0.44)
SCHEMBL5278902 0.74 BCHE (0.47) POLBALDH1A1MAPTLMNAMEN1
SCHEMBL5275770 0.72 MEN1 (0.41) POLBMEN1KMT2ACCR5
SCHEMBL5284035 0.70 GAA (0.48) POLBGAAALDH1A1MAPTRAB9A
SCHEMBL5287840 0.70 NAMPT (0.41) RAB9A
SCHEMBL5281643 0.70 GPR119 (0.49) PKM

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 POLB 820/4885GAA 569/4885ALDH1A1 781/4885

“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.