Verticillin A

Verticillin A

SCHEMBL3291373

CN1C(=O)[C@]23SS[C@@]1(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 SCHEMBL29623144 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3847282-A1 BIOMARKERS FOR CANCER THERAPY The Council of the Queensland Institute of Medical Research (AU) 2021-07-14 — — EP claimed
CN-105596347-B Verticillin A and application in medicine preparation is combined with TRAIL 浙江大学 2018-04-20 — — CN claimed
WO-2016086118-A1 GLYCEROL-BASED POLYCARBONATES TRUSTEES OF BOSTON UNIVERSITY (US) 2016-06-02 — — WO claimed
CN-105596347-A Application of verticillin A and combination of verticillin A and TRAIL in medicine preparation UNIV ZHEJIANG 2016-05-25 — — CN claimed
US-20140161785-A1 Verticillin A Inhibition of Histone Methyltransferases NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-06-12 — — US claimed
WO-2012161799-A1 EPIDITHIODIOXOPIPERAZINES AND USES THEREOF IN TREATING CANCER GEORGIA HEALTH SCIENCES UNIVERSITY RESEARCH INSTITUTE, INC (US) 2012-11-29 — — WO claimed
US-20120219568-A1 EPIDITHIODIOXOPIPRAZINES AND USES THEREOF IN TREATING CANCER ZHEJIANG UNIVERSITY 2012-08-30 — — US claimed
CN-1285598-C Method for preparing verticillium bacteria A and application UNIV ZHEJIANG (CN) 2006-11-22 — — CN claimed
US-12448398-B2 Semi-synthetic analogues of epipolythiodioxopiperazine alkaloids OHIO STATE INNOVATION FOUNDATION (US) 2025-10-21 — — US disclosed
US-11819554-B2 Compositions and methods for modulating FMR1 expression UNIVERSITY OF MASSACHUSETTS (US) 2023-11-21 — — US disclosed
US-20230015276-A1 METHODS AND COMPOSITIONS TO INCREASE SOMATIC CELL NUCLEAR TRANSFER (SCNT) EFFICIENCY BY REMOVING HISTONE H3-LYSINE TRIMETHYLATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-01-19 — — US disclosed
EP-3349749-B1 COMPOSITIONS AND METHODS FOR MODULATING FMR1 EXPRESSION UNIV MASSACHUSETTS (US) 2022-12-14 — — EP 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
US-11390885-B2 Methods and compositions to increase somatic cell nuclear transfer (SCNT) efficiency by removing histone H3-lysine trimethylation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-07-19 — — US disclosed
CN-1285598-C Method for preparing verticillium bacteria A and application UNIV ZHEJIANG (CN) 2006-11-22 — — CN disclosed
US-7112425-B2 Polynucleotides and polypeptides coded by said polynucleotides involved in the synthesis of diketopiperazine derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-09-26 — — US disclosed
US-20060051837-A1 Polynucleotides and polypeptides coded by said polynucleotides involved in the synthesis of diketopiperazine derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-03-09 — — US disclosed
CN-1687077-A Method for preparing verticillium bacteria A and application UNIV ZHEJIANG (CN) 2005-10-26 — — CN disclosed
CN-1687077-A Method for preparing verticillium bacteria A and application UNIV ZHEJIANG (CN) 2005-10-26 — — CN disclosed
CN-1668639-A Polynucleotides involved in synthesis of diketopiperazine derivatives and polypeptides encoded by said polynucleotides COMMISSARIAT ENERGIE ATOMIQUE (FR) 2005-09-14 — — CN 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-20140161785-A1 Verticillin A Inhibition of Histone Methyltransferases SUV39H2, SUV39H1, NSD1 KMT2A 16/4885EHMT2 7/4885SUV39H1 2/4885
US-20120219568-A1 EPIDITHIODIOXOPIPRAZINES AND USES THEREOF IN TREATING CANCER TOP2A, EI24, BAD KMT2A 3006/4885EHMT2 2639/4885SUV39H1 1296/4885
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.

Send feedback