SCHEMBL27435433

SCHEMBL27435433

COc1ccc(Cn2ncc(N(C)C)c(C(C)=O)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 15/20 0.54
▸ MCHR1 Q99705 1/20 0.50
▸ PKM P14618 1/20 0.43
▸ PKLR P30613 1/20 0.43
▸ PDE1A P54750 2/20 0.42
▸ PDE1B Q01064 2/20 0.42
▸ PDE1C Q14123 2/20 0.42
▸ UCHL1 P09936 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL27077832 0.86 NPBWR1 (0.51) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29731573 0.84 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29102671 0.84 NPBWR1 (0.68) NPBWR1MCHR1PKMALDH1A1HTT
SCHEMBL29731534 0.84 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL24640501 0.84 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL27077877 0.83 NPBWR1 (0.66) NPBWR1MCHR1PKMALDH1A1HTT
SCHEMBL29150302 0.81 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL27435441 0.80 NPBWR1 (0.53) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL27077749 0.80 NPBWR1 (0.55) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL27077660 0.79 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A

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-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX NPBWR1 830/4885MCHR1 1306/4885PKM 3443/4885

“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.

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