SCHEMBL15480581

SCHEMBL15480581

COc1nc2cc(S(=O)(=O)Nc3ccc(C(=O)NO)cc3)ccc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC1 Q13547 5/20 0.54
BRPF1 P55201 2/20 0.54
HDAC3 O15379 4/20 0.49
HDAC11 Q96DB2 3/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HDAC2 Q92769 2/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15480584 0.83 HDAC6 (0.54) HDAC6HDAC8HDAC1BRPF1HDAC3
SCHEMBL15480641 0.82 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC3ALDH1A1
SCHEMBL15480582 0.76 HDAC6 (0.50) HDAC6HDAC8HDAC1BRPF1HDAC3
SCHEMBL15480571 0.75 HDAC8 (0.52) HDAC6HDAC8HDAC1BRPF1HDAC3
SCHEMBL15480533 0.75 MEN1 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL15482273 0.73 HDAC3 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL15482250 0.73 HDAC8 (0.57) HDAC6HDAC8HDAC1BRPF1HDAC3
SCHEMBL28444238 0.72 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL15480586 0.72 ALDH1A1 (0.60) HDAC6HDAC8HDAC1BRPF1HDAC3
SCHEMBL18407539 0.72 KMT2A (0.53) HDAC6HDAC8HDAC1BRPF1HDAC3

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 6 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-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-11-23 US disclosed
EP-3214076-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd. (JP) 2017-09-06 EP 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC8 4/4885HDAC1 2/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC8 4/4885HDAC1 2/4885
US-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAR2B, PRKAR2A, PRKAG3 HDAC6 1504/4885HDAC8 118/4885HDAC1 1419/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC8 4/4885HDAC1 2/4885

“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.