SCHEMBL15470595

SCHEMBL15470595

Cc1cc(C)nc(C#CCON2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.43
GAA P10253 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VDR P11473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12497039 0.83 GRM5 (0.40) GRM5GAAALDH1A1GLAHPGD
SCHEMBL4562043 0.77 GRM5 (0.44) GRM5
SCHEMBL31366887 0.72 GAA (0.53) GAAALDH1A1HPGDVDRCYP1A2
SCHEMBL15470593 0.71 RECQL (0.47) GAAALDH1A1GLAHPGDL3MBTL1
SCHEMBL877768 0.70 GAA (0.37) GRM5GAAALDH1A1CYP1A2CYP2C9
SCHEMBL877828 0.70 GAA (0.37) GRM5GAAALDH1A1CYP1A2CYP2C9
SCHEMBL8706627 0.69 RECQL (0.60) GAAALDH1A1
SCHEMBL9316385 0.68 GAA (0.49) GAAALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL25282051 0.68 ALDH1A1 (0.41) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL31119039 0.66 MEN1 (0.59) GRM5GAAALDH1A1HPGDVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 GRM5 1821/4885GAA 1009/4885ALDH1A1 884/4885

“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.