SCHEMBL3287775

SCHEMBL3287775

CN(C)c1cccc(C(=O)N2CCc3ccc(C(=O)O)cc3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.57
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRMT5 O14744 3/20 0.49
WDR77 Q9BQA1 3/20 0.49
NAMPT P43490 2/20 0.49
ABL1 P00519 5/20 0.49
BCR P11274 5/20 0.49
HSD11B1 P28845 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46

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 0.88 MYC (0.58) MYCALDH1A1HPGDPRMT5WDR77
SCHEMBL3455665 0.87 HPGD (0.66) ALDH1A1HPGDSMN1; SMN2NAMPTABL1
SCHEMBL29374171 0.83 PRMT5 (0.57) MYCALDH1A1HPGDPRMT5WDR77
SCHEMBL4518664 0.79 HSD11B1 (0.49) ALDH1A1NAMPTABL1BCRHSD11B1
SCHEMBL3281279 0.78 MYC (0.58) MYCALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL3281507 0.78 HDAC6 (0.69) MYCALDH1A1HPGDSMN1; SMN2NAMPT
SCHEMBL28242857 0.77 PRMT5 (0.52) MYCALDH1A1HPGDPRMT5WDR77
SCHEMBL3282215 0.76 PRMT5 (0.63) ALDH1A1HPGDPRMT5WDR77TP53
SCHEMBL3284599 0.76 KMT2A (0.51) MYCALDH1A1HPGDPRMT5WDR77
SCHEMBL1026202 0.76 NOTUM (0.61) MYCALDH1A1SMN1; SMN2PRMT5NAMPT

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 4493/4885ALDH1A1 681/4885HPGD 489/4885

“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.