SCHEMBL3411024

SCHEMBL3411024

CCc1ccc(C(=O)c2c[nH]c3cccc(Br)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NR4A2 P43354 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CLK1 P49759 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PLK1 P53350 1/20 0.39
STING1 Q86WV6 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
SCHEMBL3041220 0.85 GAA (0.46) CFTRSMN1; SMN2TP53NPSR1MAPT
SCHEMBL15712666 0.83 CYP2A6 (0.47) CYP2A6SMN1; SMN2TP53NPSR1MAPT
SCHEMBL3052938 0.82 TP53 (0.48) SMN1; SMN2TP53NPSR1MAPTNR4A2
SCHEMBL9051843 0.81 TSHR (0.43) SMN1; SMN2TP53NPSR1
SCHEMBL7552732 0.77 GABRA1 (0.52) CYP2A6NR4A2
SCHEMBL1924214 0.76 SMN1; SMN2 (0.48) CFTRCYP2A6SMN1; SMN2TP53NPSR1
SCHEMBL3410158 0.76 GPR84 (0.53) CYP2A6
SCHEMBL21362751 0.75 ALDH1A1 (0.60) SMN1; SMN2MAPTHTTNPC1ALDH1A1
SCHEMBL15348693 0.75 PBRM1 (0.54) CYP2A6NR4A2CLK1CDK5CDK5R1
SCHEMBL3554889 0.75 NR4A2 (0.68) CYP2A6NR4A2RAB9A

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 10 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
EP-1679965-A4 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP 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
EP-1679965-A2 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037980-A1 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012318-A2 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 WO 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 CFTR 1002/4885CYP2A6 1159/4885SMN1; SMN2 4012/4885
US-20060229260-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG CFTR 1002/4885CYP2A6 1159/4885SMN1; SMN2 4012/4885
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES UGCG, UGGT1, GCG CFTR 1002/4885CYP2A6 1159/4885SMN1; SMN2 4012/4885
US-20050037980-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG CFTR 1002/4885CYP2A6 1159/4885SMN1; SMN2 4012/4885

“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.