SCHEMBL446223

SCHEMBL446223

CC1OC(c2ccc3nn(Cc4ccc(Cl)c(Cl)c4)c(=O)n3c2)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 14/20 0.47
SLC5A1 P13866 5/20 0.44
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR6 P50406 2/20 0.36
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDE1B Q01064 1/20 0.35
RGS4 P49798 1/20 0.34
RGS8 P57771 1/20 0.34

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
SCHEMBL406980 0.79 SLC5A2 (0.43) SLC5A2SLC5A1HTR1ADRD2HTR2A
SCHEMBL407427 0.75 SMN1; SMN2 (0.45) SLC5A2SLC5A1ALDH1A1TSHRHTT
SCHEMBL216748 0.74 EGLN1 (0.44) SLC5A2SLC5A1TSHRTDP1
SCHEMBL214943 0.72 SCD (0.51) SLC5A2SLC5A1KMT2A
SCHEMBL406979 0.72 HTR1A (0.58) SLC5A2SLC5A1HTR1ADRD2HTR2A
SCHEMBL2735997 0.72 IKBKB (0.48) SMN1; SMN2
SCHEMBL215875 0.72 SMN1; SMN2 (0.45) SLC5A2SLC5A1ALDH1A1HPGDTSHR
SCHEMBL216192 0.71 PTGDR2 (0.46) SLC5A2ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL216751 0.69 SLC5A2 (0.40) SLC5A2SLC5A1ALDH1A1TSHRHTT
SCHEMBL216937 0.69 SMN1; SMN2 (0.47) ALDH1A1HPGDHTTKMT2ASMN1; SMN2

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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US disclosed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2009137201-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-11-12 WO disclosed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 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 (2 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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SLC5A2 1103/4885SLC5A1 927/4885HTR1A 4022/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SLC5A2 1103/4885SLC5A1 927/4885HTR1A 4022/4885

“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.