SCHEMBL1610048

SCHEMBL1610048

ON=Cc1ccc(-n2cncn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNJ1 P48048 1/20 0.37
PIM1 P11309 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 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
SCHEMBL1610046 1.00 MAPT (0.45) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL23586773 0.80 MAPT (0.45) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL4455704 0.80 KDM4E (0.62) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL30445152 0.80 KDM4E (0.62) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1609843 0.78 KDM4E (0.64) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1609841 0.78 KDM4E (0.64) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL2644945 0.74 MAPT (0.48) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL26971046 0.73 MAPT (0.48) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1609796 0.73 ALDH1A1 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1609795 0.73 ALDH1A1 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS MAPT 4845/4885KDM4E 1969/4885ALDH1A1 683/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA MAPT 4838/4885KDM4E 583/4885ALDH1A1 691/4885

“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.