SCHEMBL877572

SCHEMBL877572

CO/N=C(\C)c1cccc(C#CCO/N=C(\C)c2cccc(C)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.46
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL882690 0.89 GRM5 (0.43) GRM5
SCHEMBL4562028 0.87 GRM5 (0.46) GRM5
SCHEMBL15465567 0.87 GRM5 (0.43) GRM5HSP90AA1
SCHEMBL5020216 0.87 GRM5 (0.43) GRM5HSP90AA1
SCHEMBL5020351 0.87 GRM5 (0.43) GRM5HSP90AA1
SCHEMBL882698 0.87 GRM5 (0.35) GRM5
SCHEMBL16164414 0.87 GRM5 (0.35) GRM5
SCHEMBL877469 0.84 GRM5 (0.41) GRM5HSP90AA1
SCHEMBL10272883 0.83 GRM5 (0.39) GRM5
SCHEMBL877274 0.83 GRM5 (0.39) GRM5

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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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 (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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 GRM5 1579/4885HSP90AA1 2350/4885

“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.