SCHEMBL4078244

SCHEMBL4078244

CCCC(CN)(CO)CCC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.37
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL11051714 0.90 FDPS (0.34) FDPS
SCHEMBL4074908 0.84 FDPS (0.41) FDPSALDH1A1TSHR
SCHEMBL22173799 0.82 FDPS (0.35) FDPS
SCHEMBL1053504 0.82 TSHR (0.37) FDPSALDH1A1TSHR
SCHEMBL39090 0.82 TSHR (0.37) FDPSALDH1A1TSHR
SCHEMBL4530110 0.82 TSHR (0.37) FDPSALDH1A1TSHR
SCHEMBL5161559 0.82 FDPS (0.38) FDPS
SCHEMBL31258986 0.82 FDPS (0.38) FDPS
Water SCHEMBL18549355 0.79 FDPS (0.36) FDPS
SCHEMBL12417217 0.79 FDPS (0.41) FDPSALDH1A1TSHR

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
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 FDPS 4622/4885ALDH1A1 1571/4885TSHR 440/4885

“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.