SCHEMBL449404

SCHEMBL449404

O=C(CCCCCN1Cc2cc(-c3ccccc3)ccc2C1=O)NO

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.63
HDAC1 Q13547 15/20 0.53
HDAC8 Q9BY41 14/20 0.53
HDAC2 Q92769 13/20 0.53
HDAC3 O15379 12/20 0.53
HDAC4 P56524 12/20 0.53
HDAC7 Q8WUI4 12/20 0.53
HDAC10 Q969S8 12/20 0.53
HDAC11 Q96DB2 12/20 0.53
HDAC9 Q9UKV0 12/20 0.53
HDAC5 Q9UQL6 12/20 0.53

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
SCHEMBL446509 0.88 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL446510 0.87 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL448108 0.87 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL450151 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL448030 0.85 HDAC3 (0.49) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL449694 0.84 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL449553 0.80 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2224872 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL452164 0.77 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL449644 0.77 HDAC3 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP claimed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US claimed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO claimed
US-12002595-B2 Separation of metal ions by liquid-liquid extraction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-04 US disclosed
EP-4290532-A2 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION The Regents of the University of California (US) 2023-12-13 EP disclosed
EP-3520117-B1 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION UNIV CALIFORNIA (US) 2023-11-08 EP disclosed
US-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-05-26 US disclosed
US-11235076-B2 Chelating platform for delivery of radionuclides FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-02-01 US disclosed
US-20210009510-A1 CHELATING MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-20190287691-A1 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 US disclosed
EP-3520117-A2 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION The Regents of The University of California (US) 2019-08-07 EP disclosed
US-20110031438-A1 METHODS AND COMPOSITIONS FOR OBTAINING HIGH-RESOLUTION CRYSTALS OF MEMBRANE PROTEINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-20110009603-A1 Method and composition for crystallizing G protein-coupled receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed
US-7790850-B2 comprising a fusion protein comprising a first portion of a GPCR, where the first portion comprises the TM1, TM2, TM3, TM4 and TM5 regions of the GPCR, a stable folded protein insertion and a second portion of the GPCR, where the second portion comprises the TM6 and TM7 regions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-07 US disclosed
WO-2009055512-A9 METHODS AND COMPOSTIONS FOR OBTAINING HIGH-RESOLUTION CRYSTALS OF MEMBRANE PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 WO disclosed
EP-2203475-A2 METHODS AND COMPOSTIONS FOR OBTAINING HIGH-RESOLUTION CRYSTALS OF MEMBRANE PROTEINS The Scripps Research Institute (US) 2010-07-07 EP disclosed
US-20090118474-A1 Method and composition for crystallizing G protein-coupled receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 US disclosed
WO-2009055512-A2 METHODS AND COMPOSTIONS FOR OBTAINING HIGH-RESOLUTION CRYSTALS OF MEMBRANE PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-04-30 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 (6 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-20190287691-A1 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION SLC39A14, SLC39A11, SLC39A7 HDAC6 1254/4885HDAC1 2128/4885HDAC8 2003/4885
US-11235076-B2 Chelating platform for delivery of radionuclides SLC40A1, TFRC, SLC39A14 HDAC6 2473/4885HDAC1 2856/4885HDAC8 1995/4885
US-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES SLC40A1, TFRC, SLC39A14 HDAC6 2473/4885HDAC1 2856/4885HDAC8 1995/4885
US-20210009510-A1 CHELATING MOLECULES SLC39A3, SLC30A6, SLC30A7 HDAC6 530/4885HDAC1 946/4885HDAC8 542/4885
US-12002595-B2 Separation of metal ions by liquid-liquid extraction SLC39A14, SLC39A11, SLC39A7 HDAC6 1254/4885HDAC1 2128/4885HDAC8 2003/4885
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL HDAC6 467/4885HDAC1 761/4885HDAC8 1074/4885

“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.