SCHEMBL2735997

SCHEMBL2735997

CCNC(=O)c1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.47
SLC2A1 P11166 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
EPHX2 P34913 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL215242 0.89 POLB (0.51) IKBKBPTGDR2PPARGLMNAMAOB
SCHEMBL215073 0.88 PTGDR2 (0.43) IKBKBPTGDR2SMN1; SMN2TP53PLA2G1B
SCHEMBL1078847 0.87 PTGDR2 (0.42) IKBKBPTGDR2SMN1; SMN2TP53PPARG
SCHEMBL216748 0.85 EGLN1 (0.44) PPARGEPHX2CYP2C9
SCHEMBL215875 0.83 SMN1; SMN2 (0.45) SLC2A1SMN1; SMN2LMNAPLA2G1BCYP1A2
SCHEMBL406980 0.81 SLC5A2 (0.43) SMN1; SMN2LMNAMAOBCYP1A2CYP3A4
SCHEMBL407427 0.79 SMN1; SMN2 (0.45) PTGDR2SMN1; SMN2TP53LMNAMAPT
SCHEMBL214943 0.76 SCD (0.51) GPR139
SCHEMBL216192 0.74 PTGDR2 (0.46) PTGDR2SMN1; SMN2TP53LMNAMAPT
SCHEMBL216937 0.74 SMN1; SMN2 (0.47) PTGDR2SMN1; SMN2TP53LMNAPLA2G1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US 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 (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-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN IKBKB 907/4885PTGDR2 1167/4885SLC2A1 2259/4885

“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.