SCHEMBL5456710

SCHEMBL5456710

CCN(CC)c1nc(Nc2ccc(F)c(F)c2)nc(N2CCN(c3ncccc3S(C)(=O)=O)CC2C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.38
BMPR2 Q13873 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NR1H3 Q13133 5/20 0.35
NR1H2 P55055 4/20 0.35
TRPV1 Q8NER1 5/20 0.35
DRD4 P21917 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
HSD11B1 P28845 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
SCHEMBL14581613 1.00 TERT (0.38) TERTBMPR2CA1CA2CA9
SCHEMBL5451291 0.87 TRPV1 (0.46) TERTTRPV1MALT1
SCHEMBL14581609 0.87 TRPV1 (0.46) TERTTRPV1MALT1
SCHEMBL14581608 0.86 TRPV1 (0.45) TRPV1HSD11B1
SCHEMBL5455696 0.86 TRPV1 (0.45) TRPV1HSD11B1
SCHEMBL5452283 0.85 TDP1 (0.43) CA1CA2CA9
SCHEMBL5795345 0.85 TDP1 (0.43) CA1CA2CA9
SCHEMBL5445745 0.78 MALT1 (0.42) TERTMALT1
SCHEMBL5456665 0.75 MAPK1 (0.46) TERTBMPR2
SCHEMBL5463308 0.72 TDP1 (0.52) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed

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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 TERT 4633/4885BMPR2 586/4885CA1 3304/4885

“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.