SCHEMBL9974820

SCHEMBL9974820

CCOC(=O)c1cc2cc(Br)ccc2n1CCCS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 1/20 0.42
ELANE P08246 2/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL31069464 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2
SCHEMBL15416321 0.87 NOD2 (0.47) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2
SCHEMBL16235848 0.83 NOD2 (0.46) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2
SCHEMBL7488350 0.82 LMNA (0.52) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2
SCHEMBL18430282 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2
SCHEMBL18733433 0.79 TSHR (0.57) SMN1; SMN2KDM4ECRHBPCRHR2ALDH1A1
SCHEMBL31435629 0.78 MCL1 (0.64) SMN1; SMN2KDM4EALDH1A1MCL1LMNA
SCHEMBL1096993 0.78 MCL1 (0.64) SMN1; SMN2KDM4EALDH1A1MCL1LMNA
SCHEMBL9940446 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ECRHBPCRHR2ALDH1A1
SCHEMBL20014958 0.78 MEN1 (0.49) SMN1; SMN2KDM4ECRHBPCRHR2PTGS2

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 19 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-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 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
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651922-B1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-02-24 EP disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
WO-2014114776-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2014-07-31 WO disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS 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 (5 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-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT SMN1; SMN2 696/4885KDM4E 1446/4885CRHBP 3201/4885
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT SMN1; SMN2 696/4885KDM4E 1446/4885CRHBP 3201/4885
US-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS SQOR, SDHA, DHX15 SMN1; SMN2 1131/4885KDM4E 1987/4885CRHBP 4543/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR SMN1; SMN2 1755/4885KDM4E 1581/4885CRHBP 4749/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT SMN1; SMN2 696/4885KDM4E 1446/4885CRHBP 3201/4885

“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.