SCHEMBL4052991

SCHEMBL4052991

N#Cc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.53
USP30 Q70CQ3 1/20 0.45
NOTUM Q6P988 1/20 0.44
ALOX5 P09917 1/20 0.44
MYC P01106 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
MGLL Q99685 1/20 0.42
HSPD1 P10809 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
HSPE1 P61604 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL4061714 0.82 ALOX5 (0.56) GPR119ALOX5ADORA2AKDM4EALDH1A1
SCHEMBL4051830 0.81 RAB9A (0.55) GPR119ALOX5KDM4EALDH1A1HPGD
SCHEMBL4059581 0.81 VSIR (0.54) GPR119ALOX5ADORA2AKDM4EALDH1A1
SCHEMBL4051901 0.81 NPC1 (0.62) GPR119ALOX5ADORA2AADORA1KDM4E
SCHEMBL5227106 0.80 ADORA2A (0.51) NOTUMMYCADORA2AADORA3ADORA1
SCHEMBL4053380 0.80 NPC1 (0.57) GPR119USP30KDM4EALDH1A1HPGD
SCHEMBL4059615 0.80 RAB9A (0.60) GPR119NOTUMKDM4EALDH1A1HPGD
SCHEMBL4050928 0.79 GPR119 (0.55) GPR119USP30NOTUMMGLLHSPD1
SCHEMBL4053161 0.79 ALOX5 (0.52) GPR119NOTUMALOX5ADORA2AKDM4E
SCHEMBL4050933 0.79 ALOX5 (0.47) GPR119ALOX5ADORA2AKDM4EALDH1A1

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 1677/4885USP30 2997/4885NOTUM 3140/4885

“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.