SCHEMBL1609841

SCHEMBL1609841

O/N=C/c1ccc(-n2cncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
FBP1 P09467 1/20 0.51
MAPT P10636 4/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2A6 P11509 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 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
SCHEMBL1609843 1.00 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL2040560 0.81 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL2040562 0.81 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL27905069 0.79 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL951176 0.78 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL1610046 0.78 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL1609795 0.78 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL1610048 0.78 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL1609796 0.78 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6869976 0.77 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2FBP1MAPT

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 KDM4E 1969/4885ALDH1A1 683/4885SMN1; SMN2 3144/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM4E 583/4885ALDH1A1 691/4885SMN1; SMN2 2709/4885

“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.