SCHEMBL5577227

SCHEMBL5577227

COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5577212 0.87 MEN1 (0.50) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL5799865 0.84 MEN1 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL5577291 0.79 TACR1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL5577564 0.75 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2234342 0.72 PTPRB (0.52) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL9543049 0.71 MEN1 (0.43) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL22338893 0.71 KMT2A (0.52) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6823644 0.71 KMT2A (0.49) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL5019060 0.71 KMT2A (0.52) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL18307298 0.71 KMT2A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1

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-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission THE UNIVERSITY OF MONTANA (US) 2007-06-21 US disclosed
WO-2006047251-A2 3-ALKYLARYL ASPARTATE COMPOUNDS AND THEIR USE FOR SELECTIVE ENHANCEMENT OF SYNAPTIC TRANSMISSION THE UNIVERSITY OF MONTANA (US) 2006-05-04 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-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission SLC1A1, SLC1A3, SLC1A2 MEN1 4165/4885KMT2A 1036/4885NPC1 383/4885

“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.