SCHEMBL23964983

SCHEMBL23964983

COC(=O)c1cccc(NC(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GRM5 P41594 2/20 0.48
MAPT P10636 5/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDH1 O75874 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL31480604 0.83 KDM4E (0.62) ALDH1A1GRM5SMN1; SMN2KDM4ELMNA
SCHEMBL25487645 0.83 KDM4E (0.62) ALDH1A1GRM5SMN1; SMN2KDM4ELMNA
SCHEMBL15652792 0.81 ALDH1A1 (0.47) ALDH1A1GRM5SMN1; SMN2KDM4ELMNA
SCHEMBL18247131 0.81 GRM5 (0.51) ALDH1A1GRM5MAPTCYP1A2SMN1; SMN2
SCHEMBL29597769 0.81 GRM5 (0.51) ALDH1A1GRM5MAPTCYP1A2SMN1; SMN2
Potassium Ion SCHEMBL28087711 0.80 ALDH1A1 (0.46) ALDH1A1GRM5SMN1; SMN2GAARAB9A
SCHEMBL69653 0.80 MAPT (0.64) ALDH1A1MAPTCYP1A2SMN1; SMN2GAA
SCHEMBL16834540 0.80 ALDH1A1 (0.49) ALDH1A1GRM5MAPTCYP1A2SMN1; SMN2
SCHEMBL1620864 0.79 GRM5 (0.50) ALDH1A1GRM5MAPTCYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL1620862 0.78 GRM5 (0.49) ALDH1A1GRM5MAPTCYP1A2SMN1; SMN2

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-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 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-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ALDH1A1 3139/4885GRM5 1663/4885MAPT 2129/4885

“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.