SCHEMBL3281279

SCHEMBL3281279

O=C(O)c1ccc2c(c1)CN(C(=O)c1ccc3ccccc3c1)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.58
HPGD P15428 4/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52
AKR1C1 Q04828 1/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
TMPRSS2 O15393 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3281507 0.84 HDAC6 (0.69) MYCHPGDLMNAMEN1KMT2A
SCHEMBL3282222 0.83 MGAM (0.54) MYCHPGDLMNAMEN1KMT2A
SCHEMBL3286990 0.82 NPC1 (0.52) MYCHPGDTSHRRAB9AMEN1
SCHEMBL3281222 0.81 MYC (0.53) MYCHPGDLMNAKMT2AALDH1A1
SCHEMBL3281301 0.81 ALDH1A1 (0.58) MYCHPGDLMNARAB9AMEN1
SCHEMBL3281265 0.81 MYC (0.54) MYCHPGDALDH1A1KDM4E
SCHEMBL4511791 0.79 HSP90AA1 (0.60) HPGDTSHRLMNAHSP90AA1HSP90AB1
SCHEMBL28052395 0.79 MYC (0.56) MYCHPGDLMNAMEN1KMT2A
SCHEMBL3095946 0.79 HPGD (0.71) MYCHPGDLMNARAB9AKMT2A
SCHEMBL3281249 0.79 MYC (0.55) MYCHPGDLMNAMEN1KMT2A

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 MYC 4493/4885HPGD 489/4885TSHR 4496/4885

“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.