SCHEMBL2003169

SCHEMBL2003169

BrN1C=Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HSD17B3 P37058 1/20 0.37
PARP1 P09874 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 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
SCHEMBL3069885 0.77 HDAC3 (0.43) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL30385312 0.74 HDAC3 (0.41) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL4854749 0.74 HDAC3 (0.41) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL560847 0.74 HDAC3 (0.38) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL1564351 0.74 HDAC3 (0.41) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL29612167 0.74 HDAC3 (0.41) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL143063 0.74 HDAC3 (0.38) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL13932579 0.74 HDAC3 (0.38) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL11353696 0.74 HDAC3 (0.38) HDAC3HSD17B3PARP1CA1CA2
SCHEMBL6017106 0.74 HDAC3 (0.38) HDAC3HSD17B3PARP1CA1CA2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143668-A Iron complex based on biisoquinoline and preparation method and application thereof 万华化学集团股份有限公司 2024-12-17 CN claimed
CN-106366069-B A kind of preparation method of N- heteroaryl carbazole compound 浙江工业大学 2019-01-08 CN claimed
CN-106366069-A Preparation method of N-heteroaryl carbazole compounds 浙江工业大学 2017-02-01 CN claimed
CN-119176844-A Platinum-containing complex and application thereof in organic electronic device 广州追光科技有限公司 2024-12-24 CN disclosed
CN-119143668-A Iron complex based on biisoquinoline and preparation method and application thereof 万华化学集团股份有限公司 2024-12-17 CN disclosed
CN-118930586-A Near infrared light excited iridium (III) complex photosensitizer, preparation method and application 华东交通大学 2024-11-12 CN disclosed
CN-112250667-B Organic compound, application thereof and organic electroluminescent device using same 固安鼎材科技有限公司 2024-03-08 CN disclosed
CN-110818739-B Metal iridium complex with synergistic response to tumor microenvironment pH/hypoxic and application thereof 南京大学 2021-05-28 CN disclosed
CN-112250667-A Organic compound, application thereof and organic electroluminescent device adopting organic compound 固安鼎材科技有限公司 2021-01-22 CN disclosed
CN-110818739-A Metal iridium complex with synergistic response to tumor microenvironment pH/hypoxic and application thereof 南京大学 2020-02-21 CN disclosed
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 EP disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
EP-1807440-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS The University of Kansas (US) 2007-07-18 EP disclosed
EP-1414457-B1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2007-06-20 EP disclosed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 US disclosed
WO-2006050501-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIVERSITY OF KANSAS (US) 2006-05-11 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P HDAC3 925/4885HSD17B3 2308/4885PARP1 1492/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN HDAC3 3836/4885HSD17B3 2831/4885PARP1 264/4885
US-20060199776-A1 Novobiocin analogues as anticancer agents HSP90B1, HSP90AB2P, HSP90AB1 HDAC3 954/4885HSD17B3 3583/4885PARP1 1217/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD HDAC3 3671/4885HSD17B3 2600/4885PARP1 151/4885

“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.