SCHEMBL4892302

SCHEMBL4892302

O=C(NCCF)NCc1cccc(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.53
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.45
PADI1 Q9ULC6 1/20 0.41
PADI3 Q9ULW8 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
SYK P43405 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MTOR P42345 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL4903940 0.83 ANPEP (0.52) EPHX1EPHX2
SCHEMBL4893863 0.83 EPHX1 (0.49) EPHX1EPHX2MAPT
SCHEMBL4892249 0.82 FBP1 (0.53) EPHX1EPHX2SMN1; SMN2MAPTALDH1A1
SCHEMBL4897474 0.82 MTOR (0.56) EPHX1EPHX2MAPTHPGDMTOR
SCHEMBL14088790 0.80 EPHX1 (0.71) EPHX1EPHX2SMN1; SMN2MAPTALDH1A1
SCHEMBL14088778 0.78 ALDH1A1 (0.64) EPHX2SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL2452487 0.77 CYP1A2 (0.58) FOLH1SMN1; SMN2AOC3MAPTALDH1A1
SCHEMBL20122670 0.76 ALDH1A1 (0.61) FOLH1PADI1PADI3SMN1; SMN2AOC3
SCHEMBL9764484 0.76 NPSR1 (0.49) FOLH1MAPTALDH1A1HPGD
SCHEMBL5183259 0.73 PPID (0.71) FOLH1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US 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
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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 FOLH1 2093/4885EPHX1 1104/4885EPHX2 604/4885

“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.