SCHEMBL1301397

SCHEMBL1301397

COc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2C(CO)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ RIOX2 Q8IUF8 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ METTL3 Q86U44 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ DNMT3A Q9Y6K1 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL1301391 1.00 CISD1 (0.37) CISD1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL1300294 0.89 METTL3 (0.43) CISD1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL1300290 0.89 METTL3 (0.43) CISD1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL1300578 0.89 METTL3 (0.33) KDM4EMETTL3LMNAHTTGSK3B
SCHEMBL1300579 0.89 METTL3 (0.33) KDM4EMETTL3LMNAHTTGSK3B
SCHEMBL1300547 0.82 ASPH (0.41) KDM4EASPHRIOX2KDM8METTL3
SCHEMBL1300548 0.82 ASPH (0.41) KDM4EASPHRIOX2KDM8METTL3
SCHEMBL1301348 0.82 METTL3 (0.40) MEN1KMT2AKDM4EASPHRIOX2
SCHEMBL1301351 0.82 METTL3 (0.40) MEN1KMT2AKDM4EASPHRIOX2
SCHEMBL1300668 0.82 METTL3 (0.42) KDM4EASPHRIOX2KDM8METTL3

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 CISD1 3880/4885KCNQ3 4581/4885KCNQ2 4605/4885

“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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