SCHEMBL5758950

SCHEMBL5758950

CC(N)(O)c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4809614 0.79 APP (0.39) APPSLC22A2SLC22A1SLC22A3ESR1
SCHEMBL25893853 0.79 PDE2A (0.50) APPMEN1KMT2ASLC22A2SLC22A1
SCHEMBL10963 0.79 APP (0.39) APPMEN1KMT2AESR1ESR2
Iodide SCHEMBL25236695 0.77 PDE2A (0.48) APPMEN1KMT2ASLC22A2SLC22A1
SCHEMBL10553790 0.77 TSHR (0.55) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL7975886 0.77 ESR1 (0.59) MEN1KMT2AESR1ESR2LMNA
SCHEMBL26687541 0.77 KCNN4 (0.48) MEN1KMT2ALMNACYP3A4PDE2A
SCHEMBL3855932 0.75 MEN1 (0.65) MEN1KMT2ATSHRSLC6A2SLC6A4
SCHEMBL7129323 0.75 APP (0.37) APPMEN1KMT2ASLC22A2SLC22A1
Hydrochloric Acid SCHEMBL6457601 0.75 ESR1 (0.56) MEN1KMT2AESR1ESR2LMNA

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
EP-1292593-B1 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS DOW AGROSCIENCES LLC (US) 2006-06-07 EP disclosed
US-6924298-B2 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds DOW AGROSCIENCES LLC (US) 2005-08-02 US disclosed
US-20040006108-A1 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds TISDELL FRANCIS EUGENE (US) 2004-01-08 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-20040006108-A1 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds TARS2, TTL, TARS1 APP 3682/4885MEN1 3109/4885KMT2A 1395/4885

“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.