SCHEMBL12110633

SCHEMBL12110633

CCOC(=O)c1cn([C@H](CO)C(C)C)c2cc(OC)c(NCc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.47
▸ MAPT P10636 2/20 0.40
▸ PDE4B Q07343 1/20 0.38
▸ PDE10A Q9Y233 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RORA P35398 1/20 0.37
▸ NR5A1 Q13285 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ NR3C2 P08235 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
SCHEMBL12506514 0.94 METTL3 (0.45) METTL3MAPTPDE10ATP53GAA
SCHEMBL1300493 0.90 METTL3 (0.57) METTL3MAPTPDE10AKDM4ETSHR
SCHEMBL1300490 0.90 METTL3 (0.57) METTL3MAPTPDE10AKDM4ETSHR
SCHEMBL12110646 0.88 METTL3 (0.38) METTL3MAPTPDE4BPDE10AKDM4E
SCHEMBL12110424 0.85 KCNQ3 (0.42) METTL3MAPTPDE4BKDM4ENPC1
SCHEMBL12110612 0.81 PDE4B (0.42) MAPTPDE4BNPC1TSHRTP53
SCHEMBL1301595 0.80 METTL3 (0.57) METTL3PDE10AKDM4EGAA
SCHEMBL1301599 0.80 METTL3 (0.57) METTL3PDE10AKDM4EGAA
SCHEMBL12505033 0.80 METTL3 (0.48) METTL3MAPTKDM4EGAAKMT2A
SCHEMBL12504041 0.79 MAPT (0.44) METTL3MAPTPDE10ATSHRGAA

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885MAPT 3259/4885PDE4B 1082/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885MAPT 3259/4885PDE4B 1082/4885

“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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