SCHEMBL354546

SCHEMBL354546

NC(=O)c1coc2nc[nH]c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.41
▸ GDA Q9Y2T3 1/20 0.36
▸ BCAT2 O15382 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ SRC P12931 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
SCHEMBL13833434 0.73 TYMS (0.36) —
SCHEMBL24339367 0.69 BCAT2 (0.41) PARP1GDABCAT2ALDH1A1HPGD
SCHEMBL24338103 0.69 POLB (0.43) PARP1GDABCAT2ALDH1A1HPGD
SCHEMBL18956077 0.68 CA12 (0.43) PARP1ALDH1A1PIM1GAASRC
SCHEMBL24302773 0.68 RAB9A (0.49) ALDH1A1GAA
SCHEMBL1787033 0.67 RAB9A (0.51) PARP1ALDH1A1HPGDPDPK1KDM4E
SCHEMBL22528923 0.65 ADORA1 (0.39) PARP1ALDH1A1KDM4ESRC
SCHEMBL13833428 0.63 DHFR (0.41) —
SCHEMBL18964989 0.63 NOTUM (0.42) PARP1ALDH1A1PIM1GAA
SCHEMBL22528854 0.63 PDPK1 (0.40) PARP1BCAT2HPGDPDPK1PIM1

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 — — US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 — — 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA PARP1 4016/4885GDA 660/4885BCAT2 137/4885

“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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