SCHEMBL5411963

SCHEMBL5411963

CN(C(=O)Cn1c(=O)sc2ccc(Nc3cccnc3)cc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL5434013 0.79 TSPO (0.49) TSPO
SCHEMBL5411949 0.73 TSPO (0.47) TSPO
SCHEMBL5424049 0.70 TSPO (0.64) TSPO
SCHEMBL5421032 0.68 TSPO (0.43) ALDH1A1MAPK1LMNATSPO
SCHEMBL5417317 0.65 TSPO (0.60) TSPO
SCHEMBL5412367 0.65 TSPO (0.80) TSPO
SCHEMBL4614736 0.64 APP (0.48) ALDH1A1MAPK1NPSR1
SCHEMBL27710911 0.64 NPC1 (0.59) ALDH1A1LMNANAMPT
SCHEMBL22662591 0.63 METAP2 (0.40) ALDH1A1LMNA
SCHEMBL3884249 0.62 NOTUM (0.56) ALDH1A1LMNA

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-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
EP-1719761-A1 NOVEL HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-11-08 — — 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-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 ALDH1A1 1154/4885MAPK1 1897/4885LMNA 3597/4885

“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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