SCHEMBL16254657

SCHEMBL16254657

COC(=O)c1cc2nc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.46
NOD2 Q9HC29 4/20 0.46
KDM4E B2RXH2 2/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
ALDH3A1 P30838 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7214149 0.88 NOD2 (0.62) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL16818895 0.88 NOD1 (0.43) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL16818821 0.87 CCR2 (0.52) NOD1NOD2KDM4EHDAC3HDAC4
SCHEMBL16486105 0.81 NOD2 (0.58) NOD1NOD2HDAC3HDAC4HDAC1
SCHEMBL16818904 0.80 ALDH3A1 (0.50) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL29526316 0.80 ALDH3A1 (0.50) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL28039004 0.79 ALDH3A1 (0.45) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL9617940 0.79 NOD2 (0.64) NOD1NOD2HDAC3HDAC4HDAC1
SCHEMBL26620160 0.79 NOD1 (0.64) NOD1NOD2KDM4EALDH3A1ALDH1A1
SCHEMBL16809763 0.77 NOD2 (0.47) NOD1NOD2KDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 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 (3 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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 NOD1 1172/4885NOD2 1811/4885KDM4E 479/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 NOD1 1172/4885NOD2 1811/4885KDM4E 479/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 NOD1 1467/4885NOD2 2070/4885KDM4E 523/4885

“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.