SCHEMBL3201812

SCHEMBL3201812

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.44
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNMA1 Q12791 2/20 0.40
MEN1 O00255 4/20 0.39
CYP2C9 P11712 1/20 0.39
DHODH Q02127 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3213773 0.84 PTGS1 (0.39) P2RX1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL14850235 0.82 P2RX1 (0.46) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL3209273 0.79 LMNA (0.46) KMT2ALMNAMEN1SMN1; SMN2RAB9A
SCHEMBL14849968 0.79 KMT2A (0.45) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL298242 0.78 P2RX1 (0.44) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL13067830 0.76 P2RX1 (0.42) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL3224790 0.75 LMNA (0.44) KMT2ALMNAMEN1SMN1; SMN2RAB9A
SCHEMBL298914 0.75 P2RX1 (0.41) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL1844350 0.75 KCNMA1 (0.51) P2RX1KMT2ALMNAL3MBTL1KCNMA1
SCHEMBL3226875 0.74 LMNA (0.43) KMT2ALMNAMEN1SMN1; SMN2RAB9A

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
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-8247594-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-21 US disclosed
US-20100130601-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-27 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2114161-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-11 EP disclosed
WO-2008107091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-09-12 WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 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-20100130601-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 P2RX1 528/4885KMT2A 2468/4885LMNA 1069/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 P2RX1 456/4885KMT2A 2178/4885LMNA 899/4885

“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.