SCHEMBL2367303

SCHEMBL2367303

CC(Cc1ccc(Cl)cc1Cl)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2C19 P33261 3/20 0.68
CYP2D6 P10635 2/20 0.68
ALOX15 P16050 2/20 0.68
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
IDO1 P14902 2/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
EPHX1 P07099 1/20 0.43
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.41
AKT3 Q9Y243 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6005671 0.81 CYP3A4 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL9780834 0.81 CYP3A4 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL15084293 0.79 IDO1 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL2424845 0.79 IDO1 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL2366964 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL2659771 0.79 IDO1 (0.54) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL2367025 0.78 CYP3A4 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL1923014 0.77 GAA (0.51) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL14198757 0.77 GAA (0.51) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15
SCHEMBL21400207 0.77 GAA (0.51) CYP1A2CYP3A4CYP2C19CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364293-B1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-23 EP disclosed
EP-2364293-B1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-23 EP disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
EP-2364293-A2 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2011-09-14 EP disclosed
WO-2010063700-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 WO disclosed
WO-2010063700-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 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-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES CASP1, CASP14, CD14 CYP1A2 202/4885CYP3A4 92/4885CYP2C19 113/4885

“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.