SCHEMBL874744

SCHEMBL874744

O=C1CCCc2cnc(-c3ccccc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR2C P28335 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADK P55263 1/20 0.41
LMNA P02545 2/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL430203 0.85 ALDH1A1 (0.41) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL13957108 0.82 KDM4E (0.34) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL426427 0.81 MAPKAPK2 (0.52) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL426781 0.80 HPGDS (0.53) KMT2AL3MBTL1MEN1KDM4EHPGD
SCHEMBL424757 0.76 ALDH1A1 (0.49) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL1032505 0.75 MAPT (0.56) HTR2CTNKS2ALDH1A1LMNAMAOA
SCHEMBL883086 0.74 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL883092 0.73 NPC1 (0.44) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL13591831 0.71 KDM4E (0.49) ALDH1A1KDM4EMAPTHTT
SCHEMBL30777930 0.71 MAOA (0.33) KMT2AL3MBTL1ALDH1A1MEN1KDM4E

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 9 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
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
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-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO 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 KMT2A 3934/4885L3MBTL1 1422/4885HTR2C 2962/4885

“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.