SCHEMBL4057792

SCHEMBL4057792

COc1ccccc1-c1nc2ccc(-c3ccco3)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.59
PIK3CA P42336 1/20 0.59
GPR119 Q8TDV5 3/20 0.55
NPC1 O15118 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
ADORA2A P29274 1/20 0.49
PDE4C Q08493 1/20 0.49
PTGS2 P35354 1/20 0.49
ALOX5 P09917 1/20 0.47
C1R P00736 1/20 0.46
ABL1 P00519 1/20 0.45
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL4054502 0.84 NPC1 (0.64) PIK3R1PIK3CAGPR119NPC1TP53
SCHEMBL4063034 0.83 PDE4C (0.57) PIK3R1PIK3CAGPR119NPC1TP53
SCHEMBL4058321 0.82 GPR119 (0.56) GPR119NPC1TP53SMN1; SMN2RAB9A
SCHEMBL4058272 0.81 RAB9A (0.56) GPR119NPC1TP53SMN1; SMN2RAB9A
SCHEMBL4051519 0.81 HDAC6 (0.58) PIK3R1PIK3CAGPR119NPC1TP53
SCHEMBL4059615 0.80 RAB9A (0.60) GPR119NPC1TP53SMN1; SMN2RAB9A
SCHEMBL4061714 0.79 ALOX5 (0.56) PIK3R1PIK3CAGPR119NPC1SMN1; SMN2
SCHEMBL31048586 0.78 GPR119 (0.54) GPR119NPC1TP53PTGS2C1R
SCHEMBL4053287 0.78 GPR119 (0.54) PIK3R1PIK3CAGPR119NPC1PTGS2
SCHEMBL4055188 0.77 GPR119 (0.55) GPR119NPC1TP53SMN1; SMN2RAB9A

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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 PIK3R1 565/4885PIK3CA 848/4885GPR119 1677/4885

“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.