SCHEMBL12110424

SCHEMBL12110424

CCOC(=O)c1cn([C@H](CO)C(C)C)c2ccc(NCc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ KCNQ4 P56696 1/20 0.42
▸ KCNQ5 Q9NR82 1/20 0.42
▸ PDE4B Q07343 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ METTL3 Q86U44 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1300831 0.88 METTL3 (0.47) MAPTMETTL3POLB
SCHEMBL1300837 0.88 METTL3 (0.47) MAPTMETTL3POLB
SCHEMBL12110327 0.88 PDE4B (0.38) KCNQ3KCNQ2KCNQ4KCNQ5PDE4B
SCHEMBL12110633 0.85 METTL3 (0.47) KCNQ3KCNQ2PDE4BLMNAMAPT
SCHEMBL12108867 0.83 THRB (0.43) LMNAMAPTMETTL3POLBKMT2A
SCHEMBL12110612 0.79 PDE4B (0.42) KCNQ3KCNQ2PDE4BLMNAMAPT
SCHEMBL13007926 0.79 LMNA (0.47) LMNAMAPTMETTL3POLBKMT2A
SCHEMBL12108852 0.79 LMNA (0.64) LMNAMAPTMETTL3POLBKMT2A
SCHEMBL12506514 0.78 METTL3 (0.45) LMNAMAPTMETTL3P2RX3POLB
SCHEMBL13771373 0.77 LMNA (0.46) LMNAMAPTMETTL3P2RX3POLB

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 3 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
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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 KCNQ3 4581/4885KCNQ2 4605/4885KCNQ4 4730/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP KCNQ3 4581/4885KCNQ2 4605/4885KCNQ4 4730/4885

“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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