SCHEMBL3284716

SCHEMBL3284716

CN(C)c1ccc(C=CC(=O)N2CCc3ccc(C(=O)O)cc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
GPR183 P32249 1/20 0.51
BCHE P06276 5/20 0.48
MAOA P21397 5/20 0.48
ACHE P22303 5/20 0.48
MAOB P27338 5/20 0.48
ATM Q13315 1/20 0.45
MYC P01106 1/20 0.44

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
SCHEMBL3282233 0.83 MYC (0.58) MAPTHPGDKMT2AMEN1HTT
SCHEMBL3284599 0.80 KMT2A (0.51) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL3177292 0.78 HDAC1 (0.54) GPR183PRMT5WDR77
SCHEMBL3177302 0.78 HDAC1 (0.54) GPR183PRMT5WDR77
SCHEMBL29374171 0.78 PRMT5 (0.57) MAPTHPGDKMT2AMEN1HTT
SCHEMBL12684545 0.77 HDAC6 (0.59) MAPTHPGDKMT2AMEN1HTT
SCHEMBL28242857 0.75 PRMT5 (0.52) HPGDKMT2AMEN1NPC1MYC
SCHEMBL3095935 0.75 MAPT (0.54) MAPTHPGDKMT2AMEN1HTT
SCHEMBL3095929 0.75 MAPT (0.54) MAPTHPGDKMT2AMEN1HTT
SCHEMBL3287775 0.74 MYC (0.57) HPGDKMT2AMAPK1LMNAMYC

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-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 MAPT 87/4885HPGD 489/4885KMT2A 66/4885

“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.