SCHEMBL16458680

SCHEMBL16458680

COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 1/20 0.72
RXFP1 Q9HBX9 1/20 0.71
TSHR P16473 2/20 0.61
HTT P42858 1/20 0.61
MAPK10 P53779 1/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL10113209 0.91 TP53 (0.69) MEN1KMT2AGAARXFP1TSHR
SCHEMBL10113102 0.91 TP53 (0.72) MEN1KMT2AGAATSHRHTT
SCHEMBL16366979 0.85 RXFP1 (0.80) RXFP1
SCHEMBL29506642 0.84 POLB (0.74) MEN1KMT2AGAATSHR
SCHEMBL2951080 0.84 POLB (0.74) MEN1KMT2AGAATSHR
SCHEMBL19752654 0.84 POLB (0.74) MEN1KMT2AGAATSHR
SCHEMBL16457711 0.83 RXFP1 (1.00) MEN1KMT2AGAARXFP1TSHR
SCHEMBL16457991 0.82 PKM (0.81) GAARXFP1TSHRHTTMAPK10
SCHEMBL16323418 0.80 ADORA2B (0.81) RXFP1
SCHEMBL16323671 0.80 ADORA2B (0.79) RXFP1TSHRHTTMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175556-A1 DIHYDROPYRIMIDIN-2(1H)-ONES AND DIHYDROPYRIMIDIN-2(1H)-THIONES AS INHIBITORS OF SODIUM IODIDE SYMPORTER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-06-25 US disclosed
EP-2682389-A1 Dihydropyrimidin-2(1H)-ones and dihydropyrimidin-2(1H)-thiones as inhibitors of sodium iodide symporter COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-01-08 EP 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-20150175556-A1 DIHYDROPYRIMIDIN-2(1H)-ONES AND DIHYDROPYRIMIDIN-2(1H)-THIONES AS INHIBITORS OF SODIUM IODIDE SYMPORTER SLC40A1, SLC5A11, SLC20A1 MEN1 235/4885KMT2A 3938/4885GAA 1804/4885

“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.