SCHEMBL9979899

SCHEMBL9979899

CS(=O)(=O)CCCNc1ccc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.41
HDAC6 Q9UBN7 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
PTGER4 P35408 2/20 0.38
APEX1 P27695 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
PLEC Q15149 1/20 0.35

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
SCHEMBL15685234 0.82 MAPT (0.47) PRSS1HDAC6HDAC1ALDH1A1KDM4E
SCHEMBL2949748 0.81 TLR8 (0.45) PRSS1HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL9979903 0.79 MAPT (0.54) PRSS1GAAMAPT
SCHEMBL6214912 0.78 KAT2B (0.45) PRSS1HDAC6ALDH1A1KDM4EGAA
SCHEMBL7740716 0.78 HDAC3 (0.41) HDAC6HDAC3HDAC1ALDH1A1KDM4E
SCHEMBL1464213 0.78 PRSS1 (0.49) PRSS1HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL26324516 0.77 HTT (0.44) PRSS1HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL5710608 0.77 PTGER4 (0.56) PRSS1HDAC6HDAC3HDAC1ALDH1A1
SCHEMBL17678064 0.77 KDM4E (0.45) PRSS1HDAC6ALDH1A1KDM4E
SCHEMBL15908724 0.76 PRSS1 (0.41) PRSS1HDAC6HDAC3HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2019-01-24 US disclosed
US-10081618-B2 Quinoxalinones and dihydroquinoxalinones as respiratory syncytial virus ativiral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-09-25 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
EP-2948444-B1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-12-07 EP disclosed
EP-2948444-B1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-12-07 EP disclosed
EP-2651903-B1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-23 EP disclosed
EP-2948444-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Janssen Sciences Ireland UC (IE) 2015-12-02 EP disclosed
US-8865705-B2 Benzimidazole respiratory syncytial virus inhibitors JANSSEN R&D IRELAND (IE) 2014-10-21 US disclosed
WO-2014114776-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2014-07-31 WO disclosed
WO-2014114776-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2014-07-31 WO disclosed
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080446-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2012-06-21 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 (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-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS SQOR, SDHA, DHX15 PRSS1 481/4885HDAC6 3749/4885HDAC3 4334/4885
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS SBDS, CHUK, HAT1 PRSS1 662/4885HDAC6 864/4885HDAC3 1044/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR PRSS1 576/4885HDAC6 3930/4885HDAC3 4174/4885
US-10081618-B2 Quinoxalinones and dihydroquinoxalinones as respiratory syncytial virus ativiral agents ATIC, DHX15, SQOR PRSS1 576/4885HDAC6 3930/4885HDAC3 4174/4885

“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.