SCHEMBL21648874

SCHEMBL21648874

CC(C)CCNC(=O)C(CN)N1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 5/20 0.44
▸ DNPEP Q9ULA0 4/20 0.44
▸ RNPEP Q9H4A4 4/20 0.43
▸ LAP3 P28838 3/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL25682469 0.85 L3MBTL1 (0.34) KMT2ATHRBL3MBTL1KDM4E
SCHEMBL19302564 0.82 TERT (0.31) —
SCHEMBL20887626 0.81 PKM (0.33) MAPTSMN1; SMN2LMNA
SCHEMBL18165057 0.79 PAOX (0.39) —
SCHEMBL19295814 0.79 AKT1 (0.33) —
SCHEMBL17721386 0.78 P2RX4 (0.34) MEN1KMT2AMAPTTHRB
SCHEMBL17254417 0.78 DNMT1 (0.32) —
SCHEMBL25679995 0.77 MTNR1A (0.32) SMN1; SMN2
SCHEMBL18161922 0.76 HDAC3 (0.35) —
SCHEMBL28646996 0.76 TSHR (0.35) THRBL3MBTL1

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-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 — — US disclosed
US-20200030456-A1 QUINONE-CONTAINING CONJUGATES PROMEGA CORPORATION 2020-01-30 — — 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 (2 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-20200030456-A1 QUINONE-CONTAINING CONJUGATES NQO1, NQO2, SQOR ANPEP 2279/4885DNPEP 158/4885RNPEP 2687/4885
US-11857638-B2 Quinone-containing conjugates NQO1, NQO2, SQOR ANPEP 2279/4885DNPEP 158/4885RNPEP 2687/4885

“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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