SCHEMBL24485236

SCHEMBL24485236

CCOC(=O)c1cccnc1C(=O)/C=C/N(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL29453685 1.00 ALDH1A1 (0.46) ALDH1A1TSHRBRD4HTTMAPT
SCHEMBL2327657 0.90 BRD4 (0.49) ALDH1A1TSHRBRD4HTTMAPT
SCHEMBL2327661 0.90 BRD4 (0.49) ALDH1A1TSHRBRD4HTTMAPT
SCHEMBL8304463 0.85 MAPT (0.48) ALDH1A1HTTMAPTGAALMNA
SCHEMBL8304460 0.85 MAPT (0.48) ALDH1A1HTTMAPTGAALMNA
SCHEMBL30600289 0.82 HTT (0.43) ALDH1A1BRD4HTTMAPTGAA
SCHEMBL26081235 0.82 HTT (0.43) ALDH1A1BRD4HTTMAPTGAA
SCHEMBL26081242 0.82 HTT (0.41) ALDH1A1TSHRHTTMAPTGAA
SCHEMBL22719324 0.81 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTGAA
SCHEMBL22719323 0.81 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 — — 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 ALDH1A1 111/4885TSHR 4693/4885BRD4 4533/4885

“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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