SCHEMBL2550684

SCHEMBL2550684

COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)[C@@H]3OC(C)(C)OC3=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
AKR1C3 P42330 1/20 0.44
MAPT P10636 7/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.42
NR4A1 P22736 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2245853 1.00 L3MBTL1 (0.46) L3MBTL1KMT2AHTTKDM4EALDH1A1
SCHEMBL2246826 0.88 LMNA (0.46) KMT2AAKR1C3MAPTLMNAGAA
SCHEMBL2551845 0.88 LMNA (0.46) KMT2AAKR1C3MAPTLMNAGAA
SCHEMBL3873237 0.88 LMNA (0.46) KMT2AAKR1C3MAPTLMNAGAA
SCHEMBL2244594 0.86 CA12 (0.46) L3MBTL1KMT2AHTTAKR1C3GAA
SCHEMBL2550432 0.86 CA12 (0.46) L3MBTL1KMT2AHTTAKR1C3GAA
SCHEMBL2246304 0.86 FAAH (0.43) L3MBTL1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2244397 0.84 FAAH (0.42) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL2249295 0.79 FAAH (0.41) KMT2AKDM4EALDH1A1POLB
SCHEMBL2249244 0.79 LMNA (0.42) KMT2AHTTKDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD L3MBTL1 3551/4885KMT2A 1561/4885HTT 39/4885

“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.