SCHEMBL3406323

SCHEMBL3406323

CCN(CC)C(=O)n1cc(C=O)c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.45
KRAS P01116 1/20 0.41
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ERN1 O75460 1/20 0.36
P2RX4 Q99571 1/20 0.35
CYP2A6 P11509 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ABCC2 Q92887 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1614118 0.85 KRAS (0.40) TSPOKRASLMNAALDH1A1KDM4E
SCHEMBL4259833 0.82 LMNA (0.48) TSPOKRASLMNAALDH1A1PTGDR2
SCHEMBL5871651 0.81 P2RX4 (0.51) TSPOLMNAALDH1A1KDM4EP2RX4
SCHEMBL22122219 0.79 KRAS (0.43) KRASALDH1A1KDM4EERN1CYP2A6
SCHEMBL3410215 0.78 TSPO (0.42) TSPOKRASLMNAL3MBTL1ALDH1A1
SCHEMBL7715925 0.74 HTR6 (0.44) KRASL3MBTL1ALDH1A1KDM4EERN1
SCHEMBL22122327 0.74 GAA (0.52) KRASLMNAALDH1A1KDM4EERN1
SCHEMBL5437254 0.71 ALDH1A1 (0.66) KRASALDH1A1KDM4EERN1CYP2A6
SCHEMBL671605 0.71 PDE4B (0.46) KRASLMNAALDH1A1KDM4EERN1
SCHEMBL22798889 0.70 ALDH1A1 (0.70) KRASLMNAL3MBTL1ALDH1A1KDM4E

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 TSPO 3433/4885KRAS 2239/4885LMNA 309/4885
US-20060229260-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG TSPO 3433/4885KRAS 2239/4885LMNA 309/4885
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES UGCG, UGGT1, GCG TSPO 3433/4885KRAS 2239/4885LMNA 309/4885
US-20050037980-A1 Substituted fused heterocyclic C-glycosides UGCG, UGGT1, GCG TSPO 3433/4885KRAS 2239/4885LMNA 309/4885

“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.