SCHEMBL877828

SCHEMBL877828

CON=C(C)c1cccc(C#CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 5/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL877768 1.00 GAA (0.37) GAARECQLTDP1GRM5ALDH1A1
SCHEMBL877273 0.79 GRM5 (0.39) GRM5
SCHEMBL10272883 0.79 GRM5 (0.39) GRM5
SCHEMBL877274 0.79 GRM5 (0.39) GRM5
SCHEMBL877420 0.78 RECQL (0.45) GAARECQLTDP1ALDH1A1CYP1A2
SCHEMBL12468167 0.78 RECQL (0.45) GAARECQLTDP1ALDH1A1CYP1A2
SCHEMBL10272849 0.77 GRM5 (0.36) GRM5
SCHEMBL875213 0.77 GRM5 (0.36) GRM5MAPT
SCHEMBL16164065 0.77 GRM5 (0.36) GRM5MAPT
SCHEMBL876737 0.77 GRM5 (0.35) 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 3 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
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

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 GAA 1211/4885RECQL 1353/4885TDP1 2840/4885

“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.