SCHEMBL25285705

SCHEMBL25285705

CN(CCCO)c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
CYP2A13 Q16696 1/20 0.52
ALDH1A1 P00352 4/20 0.48
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
CYBB P04839 5/20 0.46
NOX4 Q9NPH5 5/20 0.46
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NOX1 Q9Y5S8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TYR P14679 1/20 0.34

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
SCHEMBL10386782 0.95 CYP2A6 (0.50) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL8627940 0.93 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL9436574 0.93 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL62025 0.89 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL13645975 0.89 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL10892510 0.87 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL13645995 0.85 CYP2A6 (0.64) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL24386502 0.84 MAPT (0.56) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL1825553 0.84 CYP2A6 (0.53) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2314708 0.83 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139214-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-05-02 US disclosed
EP-4289422-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kyushu University, National University Corporation (JP) 2023-12-13 EP disclosed
EP-4289422-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kyushu University, National University Corporation (JP) 2023-12-13 EP disclosed
CN-117042759-A IL-31 production inhibitor and pharmaceutical composition containing the same 国立大学法人九州大学 2023-11-10 CN disclosed
US-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF CELROS BIOTECH (KR) 2023-10-19 US disclosed
US-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF CELROS BIOTECH (KR) 2023-10-19 US disclosed
US-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF CELROS BIOTECH (KR) 2023-10-19 US disclosed
EP-4205740-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF Celros Biotech (KR) 2023-07-05 EP disclosed
EP-4205740-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF Celros Biotech (KR) 2023-07-05 EP disclosed
CN-115989060-A Novel thiohydantoin derivatives and uses thereof 赛罗斯生物科技 2023-04-18 CN disclosed
WO-2022168962-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 国立大学法人九州大学 2022-08-11 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-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF NOX1, NOX4, NOX5 CYP2A6 772/4885CYP2A13 693/4885ALDH1A1 477/4885
US-20240139214-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME IL36G, IL1RN, IL1B CYP2A6 556/4885CYP2A13 827/4885ALDH1A1 542/4885

“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.