SCHEMBL625870

SCHEMBL625870

Oc1ccccc1-c1ccnn1-c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.47
NR3C2 P08235 1/20 0.47
MAPK14 Q16539 2/20 0.40
KCNN4 O15554 8/20 0.38
PDE10A Q9Y233 3/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL1629941 0.87 HSP90AA1 (0.67) HSP90AA1SMN1; SMN2NR3C2MAPK14PDE10A
SCHEMBL1630437 0.87 HSP90AA1 (0.67) HSP90AA1SMN1; SMN2NR3C2MAPK14PDE10A
SCHEMBL1631608 0.81 HSP90AA1 (0.72) HSP90AA1SMN1; SMN2NR3C2MAPK14KCNN4
SCHEMBL1629137 0.81 HSP90AA1 (1.00) HSP90AA1SMN1; SMN2NR3C2MAPK14KCNN4
SCHEMBL1630519 0.81 HSP90AA1 (0.60) HSP90AA1SMN1; SMN2NR3C2MAPK14PDE10A
SCHEMBL626539 0.78 KCNN4 (0.55) HSP90AA1SMN1; SMN2NR3C2MAPK14KCNN4
SCHEMBL13522945 0.77 HSP90AA1 (0.51) HSP90AA1NR3C2IDO1KDM4E
SCHEMBL1629661 0.76 HSP90AA1 (0.65) HSP90AA1SMN1; SMN2NR3C2MAPK14PDE10A
SCHEMBL14696701 0.76 HSP90AA1 (0.54) HSP90AA1SMN1; SMN2NR3C2MAPK14KCNN4
SCHEMBL1629098 0.76 HSP90AA1 (0.63) HSP90AA1SMN1; SMN2NR3C2MAPK14PDE10A

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-20130317212-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-11-28 US disclosed
EP-2603515-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2013-06-19 EP disclosed
CN-103068833-A Light emitting materials for electronics SOLVAY 2013-04-24 CN disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
EP-2423214-A1 Light emitting materials for Electronics Solvay SA (BE) 2012-02-29 EP disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed
WO-2012019948-A1 LIGHT EMITTING MATERIALS FOR ELECTRONICS SOLVAY SA (BE) 2012-02-16 WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC HSP90AA1 1213/4885SMN1; SMN2 4633/4885NR3C2 1822/4885

“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.