SCHEMBL13832575

SCHEMBL13832575

COc1cc(Oc2ncc(N3C(=O)N[C@](C)(I)C3=O)cn2)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP1A2 P05177 6/20 0.32
CYP3A4 P08684 6/20 0.32
USP2 O75604 5/20 0.32
ALDH1A1 P00352 5/20 0.32
CYP2C9 P11712 3/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CLK4 Q9HAZ1 1/20 0.30
AR P10275 2/20 0.30

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
SCHEMBL13832425 0.91 MAPT (0.32) NPBWR1MCHR1ALDH1A1TSHR
SCHEMBL30939633 0.85 ALDH1A1 (0.36) DRD1NPBWR1MCHR1CYP1A2CYP3A4
SCHEMBL1978283 0.85 ALDH1A1 (0.36) DRD1NPBWR1MCHR1CYP1A2CYP3A4
SCHEMBL1979286 0.79 MAPT (0.32) NPBWR1MCHR1ALDH1A1TSHRAR
SCHEMBL30939587 0.79 MAPT (0.32) NPBWR1MCHR1ALDH1A1TSHRAR
SCHEMBL1982062 0.77 AR (0.45) DRD1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL30939555 0.77 AR (0.45) DRD1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL30939522 0.77 AR (0.42) DRD1NPBWR1MCHR1AR
SCHEMBL1978153 0.77 AR (0.42) DRD1NPBWR1MCHR1AR
SCHEMBL1979866 0.74 AR (0.35) DRD1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 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-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 DRD1 153/4885NPBWR1 2875/4885MCHR1 1913/4885

“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.