SCHEMBL22589393

SCHEMBL22589393

N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 20/20 1.00
▸ ALDH1A1 P00352 18/20 1.00
▸ ALDH2 P05091 10/20 1.00

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
Bromide SCHEMBL22589392 0.99 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
SCHEMBL22589377 0.87 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
Bromide SCHEMBL22589442 0.86 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
SCHEMBL29828747 0.82 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
SCHEMBL22589439 0.82 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
SCHEMBL22589390 0.82 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
Bromide SCHEMBL22589434 0.81 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
Bromide SCHEMBL29829467 0.81 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
Bromide SCHEMBL22589413 0.81 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2
SCHEMBL22589386 0.80 ALDH1A1 (1.00) ALDH3A1ALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616678-B2 Methods to of aldehyde dehydrogenases for treatment of cancer THE PENN STATE RESEARCH FOUNDATION (PA) 2026-05-05 — — US claimed
US-20250387367-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER PENN STATE RES FOUND (US) 2025-12-25 — — US claimed
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2023-09-28 — — US claimed
US-20220175723-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2022-06-09 — — US claimed
EP-3958868-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2022-03-02 — — EP claimed
WO-2021252749-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2021-12-16 — — WO claimed
WO-2020219531-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2020-10-29 — — WO claimed
US-12616678-B2 Methods to of aldehyde dehydrogenases for treatment of cancer THE PENN STATE RESEARCH FOUNDATION (PA) 2026-05-05 — — US disclosed
US-20250387367-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER PENN STATE RES FOUND (US) 2025-12-25 — — US disclosed
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2023-09-28 — — US disclosed
US-20220175723-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2022-06-09 — — US disclosed
EP-3958868-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2022-03-02 — — EP disclosed
WO-2021252749-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2021-12-16 — — WO disclosed
WO-2020219531-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2020-10-29 — — 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 (4 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-20250387367-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER ALDH3A1, ALDH2, ADH1C ALDH3A1 1/4885ALDH1A1 4/4885ALDH2 2/4885
US-20220175723-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER DPYD, ALDH2, DLD ALDH3A1 4/4885ALDH1A1 6/4885ALDH2 2/4885
US-12616678-B2 Methods to of aldehyde dehydrogenases for treatment of cancer ALDH1A1, ALDH3A1, ADH1C ALDH3A1 2/4885ALDH1A1 1/4885ALDH2 4/4885
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER DPYD, ALDH2, DLD ALDH3A1 4/4885ALDH1A1 6/4885ALDH2 2/4885

“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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