SCHEMBL29845523

SCHEMBL29845523

CC(C)(C)OC(=O)NCCc1c(N)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.56
▸ KDM4A O75164 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL30627627 0.82 NQO2 (0.62) NQO2KDM4ABCHENAMPTMALT1
SCHEMBL30627624 0.82 NQO2 (0.62) NQO2KDM4ABCHENAMPTMALT1
SCHEMBL29845712 0.82 NQO2 (0.53) NQO2KDM4ABCHENAMPTMALT1
SCHEMBL29845466 0.82 NQO2 (0.53) NQO2KDM4ABCHENAMPTCTSS
SCHEMBL20563159 0.80 MTNR1A (0.47) —
SCHEMBL1579453 0.79 NQO2 (0.75) NQO2KDM4ACTSSCTSK
SCHEMBL30627643 0.79 NQO2 (0.63) NQO2KDM4ABCHENAMPTMALT1
SCHEMBL27887680 0.78 ALDH1A1 (0.41) —
SCHEMBL30627602 0.78 NQO2 (0.62) NQO2KDM4ABCHEIDO1CTSS
SCHEMBL30627657 0.78 NQO2 (0.62) NQO2KDM4ABCHENAMPTIDO1

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-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 — — 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-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 NQO2 1000/4885KDM4A 1257/4885BCHE 4473/4885

“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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