SCHEMBL1300908

SCHEMBL1300908

COc1nc2c(cc1NCCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.42
▸ ACP1 P24666 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ TOP1 P11387 3/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ CNR2 P34972 4/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL1300902 1.00 METTL3 (0.42) METTL3ACP1RXFP1POLBGSK3B
SCHEMBL1300290 0.92 METTL3 (0.43) METTL3RXFP1GSK3BPIM1KDM4E
SCHEMBL1300294 0.92 METTL3 (0.43) METTL3RXFP1GSK3BPIM1KDM4E
SCHEMBL1302306 0.87 METTL3 (0.46) METTL3RXFP1GSK3BTOP1KDM4E
SCHEMBL1302316 0.87 METTL3 (0.46) METTL3RXFP1GSK3BTOP1KDM4E
SCHEMBL1301771 0.87 METTL3 (0.44) METTL3ACP1RXFP1GSK3BPIM1
SCHEMBL1301775 0.87 METTL3 (0.44) METTL3ACP1RXFP1GSK3BPIM1
SCHEMBL1301914 0.87 METTL3 (0.45) METTL3GSK3BMAPTKMT2A
SCHEMBL1301916 0.87 METTL3 (0.45) METTL3GSK3BMAPTKMT2A
SCHEMBL1300668 0.86 METTL3 (0.42) METTL3GSK3BKDM4E

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — 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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885ACP1 593/4885RXFP1 4815/4885

“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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