SCHEMBL214943

SCHEMBL214943

O=C(CO)Nc1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.51
SLC5A2 P31639 6/20 0.42
SLC5A1 P13866 3/20 0.40
GPR139 Q6DWJ6 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL407427 0.88 SMN1; SMN2 (0.45) SLC5A2SLC5A1GPR139MEN1POLB
SCHEMBL216803 0.88 SCD (0.55) SCDSLC5A2
SCHEMBL216751 0.88 SLC5A2 (0.40) SCDSLC5A2SLC5A1GPR139POLB
SCHEMBL216192 0.83 PTGDR2 (0.46) SCDSLC5A2GPR139POLB
SCHEMBL216937 0.81 SMN1; SMN2 (0.47) SCDKMT2A
SCHEMBL216748 0.79 EGLN1 (0.44) SLC5A2SLC5A1
SCHEMBL215242 0.77 POLB (0.51) SLC5A2MEN1POLBKMT2A
SCHEMBL406980 0.77 SLC5A2 (0.43) SLC5A2SLC5A1GPR139KMT2A
SCHEMBL2735997 0.76 IKBKB (0.48) GPR139
SCHEMBL3064700 0.75 SCD (0.49) SCDMEN1POLBKMT2A

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 5 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
EP-2268637-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-05 EP 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 SCD 1/4885SLC5A2 1103/4885SLC5A1 927/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SCD 1/4885SLC5A2 1103/4885SLC5A1 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.