SCHEMBL11915751

SCHEMBL11915751

COC(=O)CSc1nnc(Br)n1-c1cccc2c(C3CC3)cccc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.71
CYP2C19 P33261 3/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
SLC22A11 Q9NSA0 1/20 0.71
SLC2A9 Q9NRM0 3/20 0.62
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL249022 0.96 SLC22A12 (0.78) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL11915750 0.88 SLC22A12 (0.92) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4735395 0.87 SLC22A12 (0.70) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL19987624 0.87 SLC22A12 (0.79) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4736112 0.86 SLC22A12 (0.75) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL21164758 0.86 SLC22A12 (0.69) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL13445169 0.86 SLC22A12 (0.78) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4736210 0.85 SLC22A12 (0.74) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL28666334 0.85 SLC22A12 (0.61) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4735350 0.85 SLC22A12 (0.82) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242154-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-08-14 US disclosed
US-8242154-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-08-14 US disclosed
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 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-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP2C9 1309/4885

“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.