SCHEMBL14106948

SCHEMBL14106948

O=C(/C=C/c1cccc2ccccc12)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 1.00
HDAC6 Q9UBN7 5/20 1.00
HDAC1 Q13547 6/20 0.60
PLK1 P53350 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
NPY1R P25929 1/20 0.55
MAPK1 P28482 1/20 0.55
NPY2R P49146 1/20 0.55
CYP1B1 Q16678 1/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC2 Q92769 2/20 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
SCHEMBL11480056 0.85 HDAC8 (0.73) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL14875220 0.82 HDAC8 (0.70) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL14875223 0.82 HDAC8 (0.70) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL5598861 0.82 HDAC8 (0.69) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL3007219 0.82 HDAC8 (0.69) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL5433891 0.81 HDAC8 (0.68) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL30071536 0.81 HDAC8 (0.68) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL23069115 0.80 HDAC8 (0.67) HDAC8HDAC6PLK1MTNR1AMTNR1B
SCHEMBL2903467 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1PLK1MTNR1A
SCHEMBL600540 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1PLK1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 US disclosed
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 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 (2 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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC8 18/4885HDAC6 16/4885HDAC1 1/4885
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC8 20/4885HDAC6 18/4885HDAC1 1/4885

“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.