SCHEMBL4294570

SCHEMBL4294570

OCc1ccc(I)cc1S

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.36
IDO1 P14902 1/20 0.33

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
SCHEMBL6156516 0.78 SLC6A4 (0.43) SLC6A4SLC6A2IDO1
SCHEMBL28879893 0.76 IDO1 (0.39) SLC6A4SLC6A2IDO1
SCHEMBL16935750 0.74 EGFR (0.43)
SCHEMBL4290170 0.74 TYR (0.39) SLC6A4SLC6A2IDO1
SCHEMBL694699 0.74 IDO1 (0.38) SLC6A4SLC6A2IDO1
Rubidium SCHEMBL38664121 0.74 AKR1B1 (0.38)
SCHEMBL12002915 0.73 IDO1 (0.55) SLC6A4SLC6A2IDO1
SCHEMBL21878600 0.73 PTGDR2 (0.41) SLC6A4SLC6A2
SCHEMBL9551563 0.73 TRPA1 (0.36)
SCHEMBL31396084 0.73 PTGDR2 (0.41) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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 (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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R SLC6A4 606/4885SLC6A2 324/4885IDO1 4714/4885

“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.