SCHEMBL11939633

SCHEMBL11939633

O=C(CCCCCCC(=O)Nc1ccc(F)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC6 Q9UBN7 16/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC3 O15379 15/20 1.00
HDAC8 Q9BY41 14/20 0.71
HDAC10 Q969S8 12/20 0.71
HDAC11 Q96DB2 11/20 0.71
NCOR2 Q9Y618 2/20 0.71
HDAC4 P56524 10/20 0.70
HDAC7 Q8WUI4 10/20 0.70
HDAC9 Q9UKV0 10/20 0.70
HDAC5 Q9UQL6 10/20 0.70
KDM4E B2RXH2 1/20 0.70
BRD4 O60885 1/20 0.70
NCOR1 O75376 1/20 0.70
NR1I2 O75469 1/20 0.70
EGFR P00533 1/20 0.70
CYP3A4 P08684 1/20 0.70
LTA4H P09960 1/20 0.70
NR0B1 P51843 1/20 0.70

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
SCHEMBL31635263 0.91 HDAC1 (0.83) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3234328 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL12288657 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL8286918 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL23271170 0.85 HDAC3 (0.73) HDAC1HDAC6HDAC2HDAC3CYP3A4
SCHEMBL12215281 0.85 HDAC3 (0.73) HDAC1HDAC6HDAC2HDAC3CYP3A4
SCHEMBL4132292 0.85 HDAC3 (0.73) HDAC1HDAC6HDAC2HDAC3CYP3A4
SCHEMBL17717891 0.85 HDAC3 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL15480417 0.84 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL28804407 0.84 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
WO-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 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 (5 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC2 3/4885
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 HDAC1 1141/4885HDAC6 884/4885HDAC2 1080/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC2 3/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 HDAC1 1141/4885HDAC6 884/4885HDAC2 1080/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC2 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.