SCHEMBL9940326

SCHEMBL9940326

O=c1n(Cc2c(I)c3ccc(Cl)cc3n2CCCCO)c2cnccc2n1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.56
CYP2D6 P10635 5/20 0.37
MAT2A P31153 2/20 0.35
CTSS P25774 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
C5AR1 P21730 1/20 0.33
TNKS O95271 1/20 0.33
NAMPT P43490 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL9974827 0.92 CYP3A4 (0.46) CYP3A4CYP2D6MAT2ACTSSDRD2
SCHEMBL15303128 0.82 CYP3A4 (0.60) CYP3A4CYP2D6CTSS
SCHEMBL16696067 0.80 CYP3A4 (0.68) CYP3A4CYP2D6CTSSDRD2SLC6A4
SCHEMBL9940593 0.80 CYP3A4 (0.60) CYP3A4
SCHEMBL18056531 0.76 CYP3A4 (0.47) CYP3A4CYP2D6C5AR1TNKS
SCHEMBL9974836 0.76 CYP3A4 (0.46) CYP3A4CYP2D6CTSSDRD2SLC6A4
SCHEMBL15302767 0.76 CYP3A4 (0.66) CYP3A4CYP2D6TNKS
SCHEMBL9940783 0.76 CYP3A4 (0.66) CYP3A4CYP2D6TNKS
SCHEMBL16696171 0.76 CYP3A4 (0.61) CYP3A4CYP2D6CTSSNAMPT
SCHEMBL9978078 0.75 CYP3A4 (0.70) CYP3A4CYP2D6TNKS

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-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-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
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-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
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
EP-2651922-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Janssen R&D Ireland (IE) 2013-10-23 EP 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
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 (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-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885MAT2A 438/4885
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885MAT2A 438/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT CYP3A4 81/4885CYP2D6 409/4885MAT2A 438/4885

“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.