SCHEMBL29623116

SCHEMBL29623116

CCC12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1([C@@]45c6ccccc6N[C@@H]4N4C(=O)[C@@]6(CC)SS[C@@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.74
▸ EHMT2 Q96KQ7 10/20 0.51
▸ SUV39H1 O43463 4/20 0.51
▸ HIF1A Q16665 4/20 0.51
▸ EP300 Q09472 4/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ TXNRD1 Q16881 1/20 0.51
▸ NSD1 Q96L73 1/20 0.51
▸ NSD3 Q9BZ95 1/20 0.51
▸ TACR1 P25103 1/20 0.33
▸ PKM P14618 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ RNF31 Q96EP0 1/20 0.31
▸ RBCK1 Q9BYM8 1/20 0.31
▸ SHARPIN Q9H0F6 1/20 0.31
▸ CREBBP Q92793 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
SCHEMBL29623437 0.96 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Melinacidin Iv SCHEMBL19275171 0.92 KMT2A (0.74) KMT2AEHMT2SUV39H1HIF1AEP300
Melinacidin Iv SCHEMBL30713080 0.92 KMT2A (0.74) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL21497282 0.88 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL17975438 0.88 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL5894069 0.88 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
SCHEMBL19275302 0.87 KMT2A (0.81) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL19275238 0.85 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL18294765 0.85 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL29623144 0.85 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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