SCHEMBL18748754

SCHEMBL18748754

C=C1CCC(=O)N1OC(=O)CCOCCOc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ LMNA P02545 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL25964997 0.93 RARB (0.38) RARBL3MBTL1NPSR1MAPTADORA3
SCHEMBL21896456 0.93 RARB (0.38) RARBL3MBTL1NPSR1MAPTADORA3
SCHEMBL17721291 0.93 RARB (0.38) RARBL3MBTL1NPSR1MAPTADORA3
SCHEMBL31083780 0.93 RARB (0.38) RARBL3MBTL1NPSR1MAPTADORA3
SCHEMBL25493957 0.87 NPSR1 (0.40) L3MBTL1NPSR1MAPTADORA3ADORA2A
SCHEMBL17721287 0.79 L3MBTL1 (0.32) RARBL3MBTL1NPSR1MAPTLMNA
SCHEMBL30155344 0.78 RARB (0.39) RARBL3MBTL1NPSR1MAPTLMNA
SCHEMBL31199169 0.78 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16974355 0.77 TP53 (0.40) TP53SMN1; SMN2ALDH1A1
SCHEMBL17928352 0.76 — —

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-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-20 — — 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-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS PTMS, DNPEP, ANPEP RARB 4868/4885L3MBTL1 2805/4885NPSR1 739/4885

“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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