SCHEMBL14288331

SCHEMBL14288331

O=C(NO)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HDAC3 O15379 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CA2 P00918 3/20 0.62
CA1 P00915 2/20 0.62
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
GAA P10253 2/20 0.56

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
SCHEMBL5330654 0.85 CA2 (0.69) HDAC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7498033 0.84 CA2 (0.83) HDAC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4896083 0.84 MEN1 (0.74) HDAC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL296991 0.83 MEN1 (0.68) HDAC1MEN1KMT2AHDAC3HDAC11
SCHEMBL15482013 0.82 HDAC8 (0.71) MEN1KMT2AHDAC3HDAC11HDAC8
SCHEMBL8273562 0.82 POLB (0.72) HDAC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL23909567 0.82 FLT1 (0.85) MEN1KMT2AALDH1A1HPGDCA2
SCHEMBL15480542 0.81 HDAC3 (0.69) HDAC1MEN1KMT2AHDAC3HDAC11
SCHEMBL15480558 0.81 HDAC8 (0.74) HDAC1MEN1KMT2AHDAC3HDAC11
SCHEMBL15480530 0.81 HDAC6 (0.74) HDAC1MEN1KMT2AHDAC3HDAC11

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-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
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 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 HDAC1 2/4885MEN1 4342/4885KMT2A 223/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885MEN1 4342/4885KMT2A 223/4885
US-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 HDAC1 2/4885MEN1 3547/4885KMT2A 55/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885MEN1 4342/4885KMT2A 223/4885

“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.