SCHEMBL3410158

SCHEMBL3410158

CCc1ccc(Cc2c[nH]c3cccc(Br)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.53
SLC5A2 P31639 5/20 0.48
SLC5A1 P13866 3/20 0.48
CYP2A6 P11509 1/20 0.46
FFAR1 O14842 1/20 0.45
HTR2A P28223 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 2/20 0.41
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40
HTR1A P08908 2/20 0.40
DRD1 P21728 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL31744876 0.88 GPR84 (0.51) GPR84SLC5A2SLC5A1CYP2A6FFAR1
SCHEMBL19216922 0.84 CYP2A6 (0.54) GPR84CYP2A6FFAR1HTR2AMEN1
SCHEMBL31415122 0.78 GPR84 (0.50) GPR84CYP2A6FFAR1HTR2AMEN1
SCHEMBL16650024 0.77 GPR84 (0.73) GPR84SLC5A2SLC5A1FFAR1HTR2A
SCHEMBL31744874 0.76 FGFR1 (0.51) GPR84HTR2AMEN1KMT2AHTR1B
SCHEMBL3411024 0.76 CFTR (0.42) CYP2A6
SCHEMBL8542889 0.75 GPR84 (0.45) GPR84SLC5A2SLC5A1CYP2A6FFAR1
SCHEMBL147220 0.74 KMT2A (0.74) GPR84CYP2A6HTR2AMEN1KMT2A
SCHEMBL25381397 0.74 CYP2A6 (0.50) GPR84CYP2A6FFAR1HTR2AMEN1
SCHEMBL3478093 0.71 HTR2A (0.68) GPR84CYP2A6FFAR1HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816328-B2 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004160-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES RYBCZYNSKI PHILIP 2010-01-07 US disclosed
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES RYBCZYNSKI PHILIP 2009-04-23 US disclosed
US-7482330-B2 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-27 US disclosed
US-20060229260-A1 Substituted fused heterocyclic C-glycosides Tanabe Pharma Corporation (JP) 2006-10-12 US disclosed
US-7094763-B2 Substituted fused heterocyclic C-glycosides JANSSEN PHARACEUTICA, N.V. (BE) 2006-08-22 US disclosed
US-20050037980-A1 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US 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 (4 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-20100004160-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES UGCG, UGGT1, GCG GPR84 2865/4885SLC5A2 7/4885SLC5A1 13/4885
US-20060229260-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG GPR84 2865/4885SLC5A2 7/4885SLC5A1 13/4885
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES UGCG, UGGT1, GCG GPR84 2865/4885SLC5A2 7/4885SLC5A1 13/4885
US-20050037980-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG GPR84 2865/4885SLC5A2 7/4885SLC5A1 13/4885

“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.