SCHEMBL3867488

SCHEMBL3867488

CCOC(OCC)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
HTR7 P34969 2/20 0.37
CYP1A2 P05177 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL29834964 0.79 IRAK4 (0.43) IRAK4HTR7CHRNB2CHRNA4HTR1A
SCHEMBL1555528 0.79 IRAK4 (0.43) IRAK4HTR7CHRNB2CHRNA4HTR1A
SCHEMBL10322640 0.76 MMP8 (0.45) IRAK4CYP1A2CHRNB2CHRNA4MEN1
SCHEMBL31096150 0.75 CYP1A2 (0.44) IRAK4CYP1A2CHRNB2CHRNA4MEN1
SCHEMBL21823474 0.75 CYP1A2 (0.44) IRAK4CYP1A2CHRNB2CHRNA4MEN1
SCHEMBL26477557 0.75 CYP1A2 (0.44) IRAK4CYP1A2CHRNB2CHRNA4MEN1
SCHEMBL24713780 0.75 IRAK4 (0.43) IRAK4HTR7CHRNB2CHRNA4HTR1A
SCHEMBL13550092 0.74 KDM4E (0.52) CYP1A2BCHEACHEPTGS2KMT2A
SCHEMBL21381388 0.74 CYP1A2 (0.42) IRAK4CYP1A2CHRNB2CHRNA4MEN1
SCHEMBL30415289 0.74 CYP1A2 (0.42) IRAK4CYP1A2CHRNB2CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528149-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-05 US disclosed
US-20070135404-A1 Respiratory Syncytial Virus Replication Inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-06-14 US disclosed
US-7179811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-20 US disclosed
US-20070015747-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA, N.V. 2007-01-18 US disclosed
CN-1210275-C Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-07-13 CN disclosed
US-6747028-B1 1,2-SUBSTITUTED BENZIMIDAZOLES HAVING ANTIVIRAL ACTIVITY HANSSEN PHARMACEUTICA, N.V. (BE) 2004-06-08 US disclosed
EP-1196409-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-04 EP disclosed
CN-1358181-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196409-A2 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000612-A2 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 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 (2 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-20070135404-A1 Respiratory Syncytial Virus Replication Inhibitors SARS1, ACE, MAVS IRAK4 2267/4885HTR7 3960/4885CYP1A2 1172/4885
US-20070015747-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS SARS1, ACE, MAVS IRAK4 2267/4885HTR7 3960/4885CYP1A2 1172/4885

“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.