SCHEMBL882663

SCHEMBL882663

COc1cc(C)nc(C(C)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.49
HIF1A Q16665 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.46
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 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
SCHEMBL5092353 0.90 CYP1A2 (0.57) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL7013053 0.84 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL9461179 0.82 ALDH1A1 (0.58) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL6694248 0.82 ALDH1A1 (0.57) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL874706 0.80 SMN1; SMN2 (0.48) CYP1A2ALDH1A1LMNAMAPTKDM4E
SCHEMBL12868397 0.79 ALDH1A1 (0.46) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL31229375 0.79 TDP1 (0.64) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL12020886 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1LMNAHIF1AMAPT
SCHEMBL9461048 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1LMNAMAPTKDM4E
SCHEMBL31229792 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1LMNAHIF1AMAPT

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 5 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
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP 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 CYP1A2 530/4885ALDH1A1 1154/4885LMNA 3986/4885

“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.