SCHEMBL5114888

SCHEMBL5114888

COc1cc2c(nc1CO)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 1/20 0.41
SMPD3 Q9NY59 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ACHE P22303 1/20 0.38
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
SLC2A1 P11166 1/20 0.38
PPARG P37231 1/20 0.37

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
Acetic Acid SCHEMBL5125173 0.92 KDM4E (0.46) NPC1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5125179 0.81 KDM4E (0.47) NPC1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5117887 0.79 NPC1 (0.53) NPC1KDM4ESMPD3MAPTALDH1A1
SCHEMBL9455514 0.77 KDM4E (0.52) NPC1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9680324 0.70 NPC1 (0.51) NPC1KDM4EPDE4DMAPTALDH1A1
SCHEMBL59900 0.70 MAPT (0.62) KDM4EPDE4DMAPTALDH1A1SMN1; SMN2
SCHEMBL7910272 0.69 SLC9A1 (0.48) NPC1KDM4ECYP2C19MAPTALDH1A1
SCHEMBL12204078 0.68 KDM4E (0.43) NPC1KDM4ECYP2C19MAPTALDH1A1
SCHEMBL529327 0.68 SMN1; SMN2 (0.50) NPC1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL23195662 0.67 NPC1 (0.48) NPC1KDM4EMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
CN-1358182-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 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 (1 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-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 NPC1 2628/4885KDM4E 1585/4885CYP2C19 1033/4885

“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.