SCHEMBL407427

SCHEMBL407427

CC(=O)Nc1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC5A2 P31639 3/20 0.41
TP53 P04637 2/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
GPR139 Q6DWJ6 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
SLC5A1 P13866 1/20 0.39
MTHFD2 P13995 1/20 0.39
PREP P48147 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL214943 0.88 SCD (0.51) MEN1KMT2ASLC5A2GPR139POLB
SCHEMBL216192 0.86 PTGDR2 (0.46) SMN1; SMN2SLC5A2TP53PTGDR2ALDH1A1
SCHEMBL216751 0.85 SLC5A2 (0.40) SMN1; SMN2SLC5A2TP53PTGDR2ALDH1A1
SCHEMBL216937 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1KMT2ATP53PTGDR2
SCHEMBL406980 0.80 SLC5A2 (0.43) SMN1; SMN2MAPK1KMT2ASLC5A2LMNA
SCHEMBL216748 0.80 EGLN1 (0.44) SLC5A2TSHRSLC5A1MTHFD2GAA
SCHEMBL2735997 0.79 IKBKB (0.48) SMN1; SMN2TP53PTGDR2LMNAGPR139
SCHEMBL216803 0.77 SCD (0.55) SLC5A2PTGDR2LMNAHTTMAPT
SCHEMBL215875 0.77 SMN1; SMN2 (0.45) SMN1; SMN2MEN1MAPK1KMT2ASLC5A2
SCHEMBL215242 0.76 POLB (0.51) MEN1KMT2ASLC5A2PTGDR2LMNA

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 SMN1; SMN2 3270/4885MEN1 4716/4885MAPK1 1952/4885

“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.