SCHEMBL29366780

SCHEMBL29366780

CC(C)(C)OC(=O)NCCCCNc1cc(-c2n[nH]c(=O)o2)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 18/20 0.50
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ PTGS1 P23219 1/20 0.38

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
SCHEMBL31336425 1.00 NOTUM (0.50) NOTUMPDE3BPDE3ACYP1A2PTGS1
SCHEMBL23826351 0.87 NOTUM (0.53) NOTUMCYP1A2
SCHEMBL23825794 0.81 NOTUM (0.53) NOTUMCYP1A2
SCHEMBL31336430 0.81 NOTUM (0.47) NOTUMCYP1A2
SCHEMBL28627451 0.81 NOTUM (0.47) NOTUMCYP1A2PTGS1
Hydrochloric Acid SCHEMBL23825826 0.81 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825570 0.81 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825825 0.81 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825815 0.80 NOTUM (0.54) NOTUMCYP1A2
SCHEMBL23826601 0.80 NOTUM (0.54) NOTUMCYP1A2

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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 — — 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 NOTUM 1103/4885PDE3B 27/4885PDE3A 49/4885

“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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