SCHEMBL9979903

SCHEMBL9979903

CS(=O)(=O)CCCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
POLB P06746 3/20 0.53
PKM P14618 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KAT2B Q92831 3/20 0.50
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 2/20 0.47
PRSS1 P07477 4/20 0.46
WNK1 Q9H4A3 1/20 0.45

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
SCHEMBL15685232 0.84 MAPT (0.75) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL2952066 0.83 MAPT (0.65) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL1957440 0.83 MAPT (0.77) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL6220192 0.81 KAT2B (0.68) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL7740648 0.81 KAT2B (0.64) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL6896294 0.81 PRSS1 (0.53) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL26324521 0.80 HCAR3 (0.63) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL17678256 0.80 SMN1; SMN2 (0.67) MAPTPOLBPKMSMN1; SMN2KAT2B
SCHEMBL9979899 0.79 PRSS1 (0.41) MAPTGAAPRSS1
SCHEMBL12491626 0.79 CYP19A1 (0.51) MAPTPOLBPKMSMN1; SMN2LMNA

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 14 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-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 MAPT 4672/4885POLB 202/4885PKM 1496/4885
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS SBDS, CHUK, HAT1 MAPT 3472/4885POLB 160/4885PKM 942/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR MAPT 4480/4885POLB 215/4885PKM 1930/4885
US-10081618-B2 Quinoxalinones and dihydroquinoxalinones as respiratory syncytial virus ativiral agents ATIC, DHX15, SQOR MAPT 4480/4885POLB 215/4885PKM 1930/4885

“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.