SCHEMBL3140934

SCHEMBL3140934

CNC(=O)c1cc(C#N)cc(C)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.35
POLB P06746 3/20 0.35
FASN P49327 1/20 0.35
NEU3 Q9UQ49 1/20 0.35
GPR35 Q9HC97 3/20 0.33
NNMT P40261 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ALOX5AP P20292 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32

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
SCHEMBL21937817 0.82 POLB (0.44) POLBGPR35
SCHEMBL635493 0.81 KDM4E (0.39) EGLN1POLBFASNNEU3GPR35
SCHEMBL22315196 0.78 TTR (0.39) EGLN1POLBFASNGPR35LRRK2
SCHEMBL2695321 0.78 EGLN1 (0.41) EGLN1
SCHEMBL2905901 0.77 CXCR5 (0.34) FASN
SCHEMBL2780136 0.77 IRAK4 (0.41) EGLN1
SCHEMBL4666210 0.76 POLB (0.45) POLB
SCHEMBL7460541 0.75 NEU3 (0.42) POLBNEU3ALOX5AP
SCHEMBL24098316 0.75 EGLN1 (0.37) EGLN1POLBFASNGPR35LRRK2
SCHEMBL22315190 0.75 GPR35 (0.38) EGLN1POLBFASNGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016156-A1 Pesticidal Mixtures BASF SE (DE) 2010-01-21 US disclosed
US-20100004125-A1 Pesticidal Mixtures BASF SE (DE) 2010-01-07 US disclosed
EP-2117314-A1 PESTICIDAL MIXTURES BASF SE (DE) 2009-11-18 EP disclosed
EP-2114165-A2 PESTICIDAL MIXTURES BASF SE (DE) 2009-11-11 EP disclosed
WO-2008095891-A1 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-14 WO disclosed
WO-2008092819-A2 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-07 WO 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-20100004125-A1 Pesticidal Mixtures DDT, CTRL, ACHE EGLN1 832/4885POLB 2665/4885FASN 2782/4885
US-20100016156-A1 Pesticidal Mixtures PFN1, CYP4X1, PFAS EGLN1 1171/4885POLB 2126/4885FASN 1787/4885

“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.