SCHEMBL4902607

SCHEMBL4902607

NCc1cccc(I)c1I

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
PNMT P11086 3/20 0.44
IDO1 P14902 2/20 0.41
DPP4 P27487 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
ASH1L Q9NR48 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1765174 0.79
SCHEMBL20844632 0.78 PNMT (0.60) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL18769305 0.78 TAAR1 (0.46) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL13977269 0.78 TAAR1 (0.46) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL283558 0.77 TAAR1 (0.39) TAAR1IDO1
SCHEMBL11763142 0.76 TAAR1 (0.50) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL15345566 0.76 TAAR1 (0.45) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL3853373 0.76 TAAR1 (0.45) TAAR1PNMTIDO1DPP4LOXL2
SCHEMBL13019656 0.75 GABRA1 (0.48) TAAR1IDO1
SCHEMBL11741449 0.75 APOBEC3G (0.39) TAAR1IDO1ASH1LKDM4E

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
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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 (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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A TAAR1 27/4885PNMT 73/4885IDO1 1109/4885

“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.