SCHEMBL30879577

SCHEMBL30879577

COC(=O)[C@@H]1C[C@H]1c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.48
▸ IDO1 P14902 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SLC6A3 Q01959 4/20 0.42
▸ SLC6A2 P23975 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC4 P56524 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
SCHEMBL22352965 1.00 SLC9A1 (0.48) SLC9A1IDO1ALDH1A1ATMMAPK1
SCHEMBL30805855 0.82 SLC6A4 (0.57) SLC9A1IDO1ALDH1A1ATMMAPK1
SCHEMBL29302528 0.82 SLC9A1 (0.58) SLC9A1ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL4717140 0.82 SLC6A4 (0.57) SLC9A1IDO1ALDH1A1ATMMAPK1
SCHEMBL5752833 0.82 SLC9A1 (0.58) SLC9A1ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL30715031 0.82 SLC9A1 (0.58) SLC9A1ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL4717135 0.82 SLC6A4 (0.57) SLC9A1IDO1ALDH1A1ATMMAPK1
SCHEMBL3031608 0.82 SLC9A1 (0.45) SLC9A1IDO1ALDH1A1ATMSLC6A4
SCHEMBL25602859 0.82 SLC6A4 (0.57) SLC9A1IDO1ALDH1A1ATMMAPK1
SCHEMBL5752830 0.82 SLC9A1 (0.58) SLC9A1ALDH1A1TSHRSLC6A4SLC6A3

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-20240199624-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION INC (US) 2024-06-20 — — US disclosed
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — 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-20240199624-A1 COMPOUNDS, COMPOSITIONS, AND METHODS MSH2, KRAS, CHAMP1 SLC9A1 2775/4885IDO1 3263/4885ALDH1A1 3080/4885

“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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