SCHEMBL16458086

SCHEMBL16458086

COc1cccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
ALDH1A1 P00352 2/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TSHR P16473 2/20 0.66
GAA P10253 1/20 0.66
BLM P54132 1/20 0.66
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL16366979 0.88 RXFP1 (0.80) RXFP1
SCHEMBL16323913 0.88 ALDH1A1 (0.81) PKMALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL13942736 0.85 MEN1 (0.57) PKM
SCHEMBL16322837 0.84 ADORA2B (0.76) KDM4ETDP1
SCHEMBL3397866 0.84 PKM (0.80) PKMALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3395610 0.84 KIF11 (0.75) ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL19752619 0.84 KIF11 (0.75) ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL10113026 0.82 DHFR (0.62) PKMALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL10113186 0.82 ALDH1A1 (0.72) PKMALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3941131 0.82 MEN1 (0.52) PKM

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 PKM 2941/4885ALDH1A1 583/4885HTT 1087/4885

“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.