SCHEMBL25323732

SCHEMBL25323732

COc1ccc(OCC(C)C)c2nc(N)sc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ GAA P10253 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ DHODH Q02127 1/20 0.35

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
SCHEMBL25326094 0.83 ALDH1A1 (0.49) TDP1ALDH1A1GAAXDHKDM4E
SCHEMBL4128905 0.82 ALDH1A1 (0.61) CYP3A4TDP1ALDH1A1GAAKDM4E
SCHEMBL25323852 0.76 KDM4E (0.68) CYP3A4TDP1ALDH1A1GAAKDM4E
SCHEMBL18416893 0.74 CYP3A4 (0.56) CYP3A4TDP1ALDH1A1GAAKDM4E
SCHEMBL30189863 0.74 CYP3A4 (0.56) CYP3A4TDP1ALDH1A1GAAKDM4E
SCHEMBL6875429 0.74 TDP1 (0.56) CYP3A4TDP1ALDH1A1GAAKDM4E
SCHEMBL3048042 0.73 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1GAAHSD17B10
SCHEMBL5206462 0.73 ALDH1A1 (0.56) CYP3A4TDP1ALDH1A1GAAHPGD
SCHEMBL10721828 0.73 SMN1; SMN2 (0.68) CYP3A4TDP1ALDH1A1KDM4EHPGD
SCHEMBL12804043 0.73 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1GAAKDM4E

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-20250177359-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS OULUN YLIOPISTO (FI) 2025-06-05 — — US disclosed
EP-4469046-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS Oulun Yliopisto (FI) 2024-12-04 — — EP disclosed
WO-2023144450-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS OULUN YLIOPISTO (FI) 2023-08-03 — — 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 (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-20250177359-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS NAMPT, NADK, NQO1 CYP3A4 544/4885TDP1 1244/4885ALDH1A1 473/4885

“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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