SCHEMBL22717113

SCHEMBL22717113

CC(=O)NC(CCCCN(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GNPAT O15228 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ FOLH1 Q04609 4/20 0.45
▸ ALB P02768 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ KDM4A O75164 5/20 0.38
▸ KDM4C Q9H3R0 5/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM7A Q6ZMT4 1/20 0.38

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
SCHEMBL22717112 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL30150605 0.86 FOLH1 (0.54) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16745724 0.82 GNPAT (0.62) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL20732425 0.81 KDM4A (0.40) ALDH1A1FOLH1KDM4AKDM4CKDM5A
SCHEMBL3027984 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL24642454 0.81 KDM4A (0.40) ALDH1A1NOD1KDM4AKDM4CKDM5A
SCHEMBL805213 0.81 KDM4A (0.40) ALDH1A1FOLH1KDM4AKDM4CKDM5A
SCHEMBL19259306 0.80 FOLH1 (0.66) FOLH1
SCHEMBL32677773 0.80 NOD1 (0.51) GNPATFOLH1NOD1
SCHEMBL25564963 0.80 CA12 (0.38) FOLH1NOD1KDM4AKDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 — — EP claimed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 — — WO claimed
US-20260076944-A1 COMPOSITIONS AND METHODS FOR PROMOTING BRAIN HEALTH UNIV CALIFORNIA (US) 2026-03-19 — — US disclosed
US-20250375505-A1 COMPOSITIONS AND METHODS FOR MODIFYING BILE ACIDS TO REGULATE LIPID AND STEROID METABOLISM UNIV CALIFORNIA (US) 2025-12-11 — — US disclosed
US-20250147048-A1 METHODS OF DIAGNOSTIC SCREENING AND EARLY DETECTION OF ADENOMYOSIS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-05-08 — — US disclosed
WO-2024015934-A2 METHODS OF DIAGNOSTIC SCREENING AND EARLY DETECTION OF ADENOMYOSIS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-01-18 — — WO disclosed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 — — EP disclosed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 — — 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 (2 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-20250375505-A1 COMPOSITIONS AND METHODS FOR MODIFYING BILE ACIDS TO REGULATE LIPID AND STEROID METABOLISM CYP27A1, LIPC, CYP46A1 SMN1; SMN2 4332/4885KDM4E 3711/4885MAPT 1772/4885
US-20260076944-A1 COMPOSITIONS AND METHODS FOR PROMOTING BRAIN HEALTH IDO1, INMT, IDO2 SMN1; SMN2 1923/4885KDM4E 553/4885MAPT 1253/4885

“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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