SCHEMBL24564644

SCHEMBL24564644

O=C(CSC1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 7/20 0.41
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL24564714 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL24564698 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL24564689 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL29697162 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL24564690 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL24564561 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1LMNAMAPT
SCHEMBL24581234 0.91 LMNA (0.42) ALDH1A1LMNAMAPTL3MBTL1HRH3
SCHEMBL24581205 0.91 LMNA (0.42) ALDH1A1LMNAMAPTL3MBTL1HRH3
SCHEMBL23957498 0.83 MAPT (0.48) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL24564713 0.82 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1LMNATSHR

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
WO-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. 2022-06-30 US 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-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 HLA-DRB1, CD74, HLA-B ALDH1A1 3804/4885ALOX15 1452/4885MAPK1 3671/4885

“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.