Verticillin A

Verticillin A

SCHEMBL29623144

CN1C(=O)[C@@]23SSC1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1([C@@]12c4ccccc4N[C@@H]1N1C(=O)[C@]4(C)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 1.00
▸ EHMT2 Q96KQ7 7/20 0.57
▸ SUV39H1 O43463 3/20 0.57
▸ HIF1A Q16665 3/20 0.43
▸ EP300 Q09472 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ NSD1 Q96L73 1/20 0.43
▸ NSD3 Q9BZ95 1/20 0.43
▸ TACR1 P25103 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ AKR1B1 P15121 3/20 0.30

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
Verticillin A SCHEMBL18294765 1.00 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL19275238 1.00 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL15791200 1.00 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL3291373 1.00 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Gliocladine B SCHEMBL30076641 0.96 KMT2A (0.91) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL29623110 0.96 KMT2A (0.91) KMT2AEHMT2SUV39H1HIF1AEP300
Gliocladine A SCHEMBL29794217 0.96 KMT2A (0.91) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL17975438 0.91 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL5894069 0.91 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL21497282 0.91 KMT2A (0.82) 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 4 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
CN-113402471-B Siderophore compounds derived from plant endophytic fungi as well as preparation method and application of siderophore compounds 华东理工大学 2022-09-13 — — CN 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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