SCHEMBL16404773

SCHEMBL16404773

O=C(NO)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.67
HDAC8 Q9BY41 4/20 0.67
HDAC2 Q92769 2/20 0.67
CXCR4 P61073 1/20 0.60
HDAC3 O15379 1/20 0.58
POLB P06746 3/20 0.55
KMT2A Q03164 1/20 0.55
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
HTT P42858 1/20 0.53
HSD11B1 P28845 3/20 0.52
RECQL P46063 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HDAC1 Q13547 1/20 0.50

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
SCHEMBL12078042 0.80 NAMPT (0.77) KMT2AHTTMAPT
SCHEMBL7410831 0.80 ITGB1 (0.63) CXCR4GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL16404742 0.80 LMNA (0.70) HDAC6HDAC8HDAC2HDAC3POLB
SCHEMBL4923521 0.80 POLB (0.72) HDAC6HDAC8HDAC2HDAC3POLB
SCHEMBL20715342 0.79 POLB (0.54) HDAC6HDAC8HDAC2CXCR4HDAC3
SCHEMBL22468206 0.77 HDAC6 (1.00) HDAC6HDAC8HDAC2CXCR4HDAC3
SCHEMBL17372930 0.77 SMN1; SMN2 (0.68) POLBKMT2AHTTALDH1A1
SCHEMBL4916863 0.76 HDAC6 (0.76) HDAC6HDAC8HDAC2CXCR4HDAC3
SCHEMBL4927135 0.76 HDAC6 (0.68) HDAC6HDAC8HDAC2CXCR4HDAC3
SCHEMBL16404767 0.76 HDAC1 (0.70) HDAC6HDAC8HDAC2HDAC3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022173-B1 COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF PARASITIC DISEASES AND METHOD OF PRODUCTION THEREOF INSTITUT DE RECH POUR LE DEVELOPPEMENT I R D (FR) 2019-02-20 EP disclosed
US-20190040004-A1 NEW COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF PARASITIC DISEASES AND METHOD OF PRODUCTION OF THEREOF UNIVERSITE DE MONTPELLIER (FR) 2019-02-07 US disclosed
US-20160168084-A1 NEW COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF PARASITIC DISEASES AND METHOD OF PRODUCTION OF THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-06-16 US disclosed
EP-2826769-A1 Compounds for the treatment and/or prevention of parasitic diseases and method of production thereof Institut de Recherche pour le Développement ( IRD) (FR) 2015-01-21 EP 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-20160168084-A1 NEW COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF PARASITIC DISEASES AND METHOD OF PRODUCTION OF THEREOF PIGO, TTPA, TST HDAC6 334/4885HDAC8 880/4885HDAC2 717/4885
US-20190040004-A1 NEW COMPOUNDS FOR THE TREATMENT AND/OR PREVENTION OF PARASITIC DISEASES AND METHOD OF PRODUCTION OF THEREOF PIGO, TTPA, TST HDAC6 334/4885HDAC8 880/4885HDAC2 717/4885

“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.