SCHEMBL2267272

SCHEMBL2267272

CC(C(F)c1ccc(Cl)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
HTT P42858 5/20 0.47
TP53 P04637 4/20 0.47
MAPK1 P28482 4/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 5/20 0.38
USP7 Q93009 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 4/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
GAA P10253 3/20 0.35
ALPL P05186 2/20 0.35
HSP90AA1 P07900 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 2/20 0.35

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
SCHEMBL14344581 0.85 LMNA (0.49) LMNAHTTTP53MAPK1TSHR
SCHEMBL2270967 0.81 LMNA (0.47) LMNAHTTTP53MAPK1TSHR
SCHEMBL265448 0.80 LMNA (0.53) LMNAHTTTP53MAPK1TSHR
SCHEMBL2367335 0.78 LMNA (0.45) LMNAHTTTP53MAPK1TSHR
SCHEMBL3924756 0.75 TDP1 (0.32) KMT2AMAPTNPSR1TDP1
SCHEMBL2977142 0.75 LMNA (0.41) LMNAHTTTP53MAPK1TSHR
SCHEMBL3919770 0.74 TP53 (0.71) LMNAHTTTP53TSHRMEN1
Hydrochloric Acid SCHEMBL2271003 0.73 LMNA (0.69) LMNAHTTTP53TSHRMEN1
SCHEMBL7441492 0.71 MAPT (0.40) LMNAHTTTP53MEN1KMT2A
SCHEMBL11689320 0.71 LMNA (0.41) LMNAHTTTP53MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2364293-A2 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2011-09-14 EP disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US 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
EP-2035374-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES Syngeta Participations AG (CH) 2009-03-18 EP disclosed
WO-2007141009-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-13 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-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES CASP1, CASP14, CD14 LMNA 3949/4885HTT 4878/4885TP53 3773/4885
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES CYP1A1, CYP51A1, CYP2E1 LMNA 3319/4885HTT 4044/4885TP53 3831/4885

“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.