SCHEMBL406980

SCHEMBL406980

CCc1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
SLC5A1 P13866 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR6 P50406 2/20 0.39
HTR7 P34969 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 2/20 0.38
GPR139 Q6DWJ6 2/20 0.38
SCN5A Q14524 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL215875 0.83 SMN1; SMN2 (0.45) SLC5A2SLC5A1SMN1; SMN2LMNAHTT
SCHEMBL216748 0.81 EGLN1 (0.44) SLC5A2TDP1SLC5A1CYP2C9GAA
SCHEMBL2735997 0.81 IKBKB (0.48) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL407427 0.80 SMN1; SMN2 (0.45) SLC5A2SLC5A1SMN1; SMN2LMNAHTT
SCHEMBL446223 0.79 SLC5A2 (0.47) SLC5A2TDP1SLC5A1HTR1ADRD2
SCHEMBL406979 0.79 HTR1A (0.58) SLC5A2TDP1SLC5A1HTR1ADRD2
SCHEMBL215242 0.78 POLB (0.51) SLC5A2LMNAHTTKMT2AMAOB
SCHEMBL214943 0.77 SCD (0.51) SLC5A2SLC5A1KMT2AGPR139
SCHEMBL215073 0.76 PTGDR2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL216937 0.76 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTCYP1A2CYP3A4

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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SLC5A2 1103/4885TDP1 1555/4885SLC5A1 927/4885

“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.