SCHEMBL1612693

SCHEMBL1612693

O/N=C(\Cl)c1ccc(-n2cncn2)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KCNJ1 P48048 1/20 0.35
PIM1 P11309 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL1612695 1.00 MEN1 (0.51) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL4459474 0.78 SMN1; SMN2 (0.49) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL600130 0.77 MAPT (0.64) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL30003409 0.76 KCNJ1 (0.61) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL5717534 0.76 MAPT (0.59) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL3358360 0.76 KCNJ1 (0.61) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL1963980 0.73 KMT2A (0.49) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL2644945 0.73 MAPT (0.48) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL14376686 0.72 MAPT (0.58) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL26971044 0.72 MAPT (0.65) MEN1KMT2AMAPTKDM4EPOLB

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 MEN1 4491/4885KMT2A 1129/4885MAPT 4845/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA MEN1 4188/4885KMT2A 122/4885MAPT 4838/4885

“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.