SCHEMBL2401013

SCHEMBL2401013

CC(=O)COc1cc(C#N)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.48
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV4 Q9HBA0 2/20 0.40
MGLL Q99685 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
VNN1 O95497 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL31413813 0.81 PTGDR2 (0.47) PTGDR2MAPTUSP2ALDH1A1TRPV4
SCHEMBL3167383 0.81 PTGDR2 (0.47) PTGDR2MAPTUSP2ALDH1A1TRPV4
SCHEMBL16855808 0.81 MAPT (0.49) PTGDR2MAPTUSP2ALDH1A1GAA
SCHEMBL16834602 0.80 MAPT (0.48) PTGDR2MAPTUSP2SMN1; SMN2VNN1
SCHEMBL7634010 0.79 TRPV4 (0.56) PTGDR2MAPTALDH1A1TRPV4MGLL
SCHEMBL2527854 0.76 TRPV4 (0.40) PTGDR2TRPV4MGLL
SCHEMBL22781839 0.76 CYP19A1 (0.43) PTGDR2MAPTALDH1A1TRPV4MGLL
SCHEMBL19584786 0.76 PTGDR2 (0.49) PTGDR2ALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL18397132 0.76 TRPV4 (0.47) PTGDR2ALDH1A1TRPV4
SCHEMBL3365987 0.76 SLC6A4 (0.56) PTGDR2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373162-B1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG (CH) 2013-08-14 EP disclosed
US-8168681-B2 Amidoacetonitrile compounds and pesticidal composition thereof NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG 2011-09-22 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-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NAAA, PTMS, NIT2 PTGDR2 3228/4885MAPT 2576/4885USP2 4356/4885

“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.