SCHEMBL392628

SCHEMBL392628

O=C(C=Cc1cccc(C(=O)O)c1)NO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.77
HDAC1 Q13547 9/20 0.77
HDAC2 Q92769 10/20 0.72
HDAC8 Q9BY41 9/20 0.72
HDAC4 P56524 9/20 0.72
HDAC6 Q9UBN7 8/20 0.72
HDAC7 Q8WUI4 7/20 0.72
HDAC9 Q9UKV0 7/20 0.72
HDAC5 Q9UQL6 7/20 0.72
HDAC10 Q969S8 6/20 0.72
HDAC11 Q96DB2 6/20 0.72
TTR P02766 2/20 0.61
P4HB P07237 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
UNG P13051 1/20 0.56
LTB4R Q15722 1/20 0.56
MEF2D Q14814 1/20 0.56
BRD4 O60885 1/20 0.55
ESR1 P03372 1/20 0.55

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
SCHEMBL13860524 0.88 TTR (0.63) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL13860523 0.88 TTR (0.63) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL675746 0.87 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL29392550 0.87 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL29354058 0.87 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL675747 0.87 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL11974382 0.85 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL25049810 0.85 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL6369565 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL11974531 0.83 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763670-B1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION UNIV BRUXELLES (BE) 2018-12-05 EP claimed
US-9943536-B2 Reactivation of HIV-1 gene expression to treat persistent HIV infection UNIVERSITE LIBRE DE BRUXELLES (BE) 2018-04-17 US claimed
US-20150023907-A1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION UNIVERSITE LIBRE DE BRUXELLES (BE) 2015-01-22 US claimed
EP-2763670-A1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION Université Libre de Bruxelles (BE) 2014-08-13 EP claimed
WO-2013050422-A1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION Université Libre de Bruxelles (BE) 2013-04-11 WO claimed
US-20240226039-A1 IMMUNE CHECKPOINT INHIBITOR AND HDAC INHIBITOR COMBINATION THERAPY STRATEGY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-07-11 US disclosed
WO-2023241799-A1 FLAVANOLS FOR USE IN THE TREATMENT OF RETROVIRAL INFECTIONS Université Libre de Bruxelles (BE) 2023-12-21 WO disclosed
US-10449245-B2 Method for reducing HIV-1 reservoir size using multivalent immunogen and reservoir purging agent BIONOR IMMUNO AS (NO) 2019-10-22 US disclosed
US-10335482-B2 Method of inducing an anti-HIV-1 immune response comprising administering a C5/TM-GP41 peptide dimer BIONOR IMMUNO AS (NO) 2019-07-02 US disclosed
US-20190183870-A1 COMBINATION OF HISTONE DEACETYLASE INHIBITOR AND IMMUNOTHERAPY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2019-06-20 US disclosed
EP-2763670-B1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION UNIV BRUXELLES (BE) 2018-12-05 EP disclosed
US-10143737-B2 Method for the vaccination against HIV BIONOR PHARMA ASA (NO) 2018-12-04 US disclosed
US-20040087631-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-06 US disclosed
US-20040072735-A1 Methods of inducing terminal differentiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20040018968-A1 Use of histone deacetylase inhibitors in combination with radiation for the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030235588-A1 Method of treating TRX mediated diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-25 US disclosed
WO-2003088954-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-10-30 WO disclosed
WO-2003075839-A2 METHODS OF INDUCING TERMINAL DIFFERENTIATION ATON PHARMA, INC. (US) 2003-09-18 WO disclosed
WO-2003070188-A2 METHOD OF TREATING TRX MEDIATED DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-08-28 WO disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 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 (7 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-10335482-B2 Method of inducing an anti-HIV-1 immune response comprising administering a C5/TM-GP41 peptide dimer CD4, C5, C9 HDAC3 4599/4885HDAC1 4481/4885HDAC2 4693/4885
US-20030235588-A1 Method of treating TRX mediated diseases TXN, TXNRD3, TXNRD2 HDAC3 16/4885HDAC1 8/4885HDAC2 5/4885
US-20040087631-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC1, HDAC4 HDAC3 4/4885HDAC1 2/4885HDAC2 6/4885
US-10143737-B2 Method for the vaccination against HIV CD4, KLK3, CCR5 HDAC3 3047/4885HDAC1 2871/4885HDAC2 4060/4885
US-20150023907-A1 REACTIVATION OF HIV-1 GENE EXPRESSION TO TREAT PERSISTENT HIV INFECTION NFATC1, CD69, STING1 HDAC3 70/4885HDAC1 7/4885HDAC2 68/4885
US-20040072735-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC1 2/4885HDAC2 7/4885
US-20040018968-A1 Use of histone deacetylase inhibitors in combination with radiation for the treatment of cancer HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885HDAC2 3/4885

“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.