SCHEMBL4057994

SCHEMBL4057994

Fc1ccc(CCc2nc3ncc(-c4ccccc4)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
MAPK13 O15264 1/20 0.44
GCGR P47871 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PDE10A Q9Y233 2/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRS3 P32247 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4058698 0.91 NOS3 (0.62) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4055334 0.88 NOS3 (0.59) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4057459 0.88 NOS3 (0.56) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4053930 0.88 NOS3 (0.56) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4059226 0.87 NOS3 (0.53) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4050811 0.84 NOS3 (0.53) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4057686 0.84 NOS3 (0.56) NOS3NOS1NOS2MAPK13MAPK12
SCHEMBL4053669 0.84 NOS1 (0.71) NOS3NOS1NOS2NPSR1BRS3
SCHEMBL4052894 0.83 NOS1 (0.61) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL4052352 0.83 NOS3 (0.54) NOS3NOS1NOS2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B NOS3 907/4885NOS1 879/4885NOS2 1019/4885

“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.