SCHEMBL2545875

SCHEMBL2545875

CC(C)C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[C@H](O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SLC6A7 Q99884 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 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
SCHEMBL2246989 1.00 MAPK1 (0.47) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL2243308 0.87 MMP2 (0.62) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL2549968 0.87 MMP2 (0.62) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL2249019 0.86 ALDH1A1 (0.58) MAPK1HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL2252745 0.86 ALDH1A1 (0.58) MAPK1HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL2245819 0.82 GRM1 (0.48) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL10861692 0.80 MEN1 (0.50) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL10861683 0.80 MEN1 (0.50) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL7066752 0.79 MEN1 (0.45) MAPK1HSD17B10MEN1KMT2AKDM4E
SCHEMBL7066749 0.79 MEN1 (0.45) MAPK1HSD17B10MEN1KMT2AKDM4E

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 MAPK1 2873/4885HSD17B10 126/4885MEN1 1421/4885

“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.

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