SCHEMBL29623437

SCHEMBL29623437

CC[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1([C@@]45c6ccccc6N[C@@H]4N4C(=O)C6(C)SS[C@@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.82
▸ EHMT2 Q96KQ7 9/20 0.49
▸ SUV39H1 O43463 3/20 0.49
▸ HIF1A Q16665 3/20 0.48
▸ EP300 Q09472 2/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ TXNRD1 Q16881 1/20 0.48
▸ NSD1 Q96L73 1/20 0.48
▸ NSD3 Q9BZ95 1/20 0.48
▸ TACR1 P25103 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL29623116 0.96 KMT2A (0.74) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL21497282 0.92 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL17975438 0.92 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL5894069 0.92 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
SCHEMBL19275302 0.91 KMT2A (0.81) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL19275238 0.91 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL18294765 0.91 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL15791200 0.91 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL29623144 0.91 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL3291373 0.91 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300

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-12448398-B2 Semi-synthetic analogues of epipolythiodioxopiperazine alkaloids OHIO STATE INNOVATION FOUNDATION (US) 2025-10-21 — — US disclosed
US-20220235072-A1 SEMI-SYNTHETIC ANALOGUES OF EPIPOLYTHIODIOXOPIPERAZINE ALKALOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-07-28 — — US disclosed
EP-3986414-A1 SEMI-SYNTHETIC ANALOGUES OF EPIPOLYTHIODIOXOPIPERAZINE ALKALOIDS Ohio State Innovation Foundation (US) 2022-04-27 — — EP 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-12448398-B2 Semi-synthetic analogues of epipolythiodioxopiperazine alkaloids EHMT1, EHMT2, KMT5A KMT2A 7/4885EHMT2 2/4885SUV39H1 8/4885
US-20220235072-A1 SEMI-SYNTHETIC ANALOGUES OF EPIPOLYTHIODIOXOPIPERAZINE ALKALOIDS EHMT1, EHMT2, KMT5A KMT2A 7/4885EHMT2 2/4885SUV39H1 8/4885

“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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