SCHEMBL3710027

SCHEMBL3710027

Cn1cncc1-c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.61
IDO1 P14902 4/20 0.60
CYP11B2 P19099 1/20 0.58
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LDLR P01130 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
HTR2A P28223 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
DRD2 P14416 1/20 0.41
BDKRB2 P30411 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27794063 0.79 CYP11B2 (0.58) HTR2CIDO1CYP11B2KDM4E
SCHEMBL27794035 0.79 CYP11B2 (0.58) HTR2CIDO1CYP11B2KDM4ECYP1A2
SCHEMBL15507748 0.77 TTK (0.48) HTR2CIDO1CYP11B2HPGDSLDLR
SCHEMBL30132183 0.77 TTK (0.48) HTR2CIDO1CYP11B2HPGDSLDLR
SCHEMBL20646497 0.77 IDO1 (0.66) HTR2CIDO1CYP11B2HPGDSLDLR
SCHEMBL31326499 0.75 IDO1 (1.00) HTR2CIDO1HPGDSKDM4ELDLR
SCHEMBL19732321 0.74 IDO1 (0.57) HTR2CIDO1CYP11B2HPGDSLDLR
SCHEMBL3534128 0.73 CYP11B2 (1.00) HTR2CIDO1CYP11B2KDM4E
SCHEMBL21128564 0.73 IDO1 (0.57) HTR2CIDO1CYP11B2HPGDSLDLR
SCHEMBL18361608 0.72 IDO1 (0.60) HTR2CIDO1HPGDSKDM4ELDLR

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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 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 (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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 HTR2C 2968/4885IDO1 1821/4885CYP11B2 778/4885

“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.