SCHEMBL4058321

SCHEMBL4058321

COc1cccc(-c2ccc3nc(-c4ccccc4OC)oc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS2 P35354 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL4052671 0.86 NPC1 (0.62) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4052772 0.86 NPC1 (0.69) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4059683 0.85 NPC1 (0.65) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4053485 0.84 NPC1 (0.66) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4056991 0.83 NPC1 (0.62) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4057792 0.82 PIK3R1 (0.59) GPR119NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4051519 0.81 HDAC6 (0.58) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4060165 0.81 VSIR (0.58) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4053396 0.80 RAB9A (0.70) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31048586 0.79 GPR119 (0.54) GPR119NPC1ALDH1A1HPGDKDM4E

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 GPR119 1677/4885NPC1 4740/4885RAB9A 1184/4885

“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.