SCHEMBL3281249

SCHEMBL3281249

O=C(O)c1ccc2c(c1)CN(C(=O)c1ccc(-n3cccc3)cc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.55
HPGD P15428 7/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HDAC6 Q9UBN7 2/20 0.49
LMNA P02545 1/20 0.49
CASP6 P55212 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
SLC6A7 Q99884 1/20 0.46
NAMPT P43490 1/20 0.46
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3287877 0.86 HPGD (0.52) MYCHPGDMEN1KMT2ACYP2D6
SCHEMBL3281886 0.85 ADH5 (0.53) MYCHPGDMEN1KMT2AHDAC6
SCHEMBL3281507 0.83 HDAC6 (0.69) MYCHPGDMEN1KMT2ACYP2D6
SCHEMBL1263318 0.83 HDAC6 (0.64) HPGDMEN1KMT2ACYP2D6CYP2C19
SCHEMBL3282233 0.79 MYC (0.58) MYCHPGDMEN1KMT2AALDH1A1
SCHEMBL3281279 0.79 MYC (0.58) MYCHPGDMEN1KMT2AALDH1A1
SCHEMBL28052395 0.78 MYC (0.56) MYCHPGDMEN1KMT2AALDH1A1
SCHEMBL3282046 0.77 NAMPT (0.57) MYCMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL23329578 0.76 HDAC6 (0.56) MYCHPGDMEN1KMT2AALDH1A1
SCHEMBL29371768 0.76 HDAC6 (0.56) MYCHPGDMEN1KMT2AALDH1A1

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 489/4885MEN1 3812/4885

“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.