SCHEMBL3220394

SCHEMBL3220394

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.53
P2RX1 P51575 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 7/20 0.43
WDR5 P61964 2/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3216577 0.85 RORC (0.50) RORCP2RX1TMPRSS4MAPTSMN1; SMN2
SCHEMBL3212463 0.84 RORC (0.48) RORCP2RX1TMPRSS4MAPTSMN1; SMN2
SCHEMBL1842685 0.80 ALDH1A1 (0.57) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1275444 0.79 KCNMA1 (0.45) RORCP2RX1MAPTSMN1; SMN2NPC1
SCHEMBL1844350 0.79 KCNMA1 (0.51) RORCP2RX1SMN1; SMN2NPC1RAB9A
SCHEMBL3224798 0.79 RORC (0.37) RORCP2RX1TMPRSS4MAPTSMN1; SMN2
SCHEMBL3211887 0.79 IRAK4 (0.49) MAPTSMN1; SMN2NPC1RAB9AWDR5
SCHEMBL27785087 0.79 MEN1 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5834661 0.78 RORC (0.63) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30868357 0.76 P2RX1 (0.62) RORCP2RX1TMPRSS4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
CN-101489990-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-07-22 CN disclosed
EP-2044006-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-08 EP disclosed
WO-2008000438-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-03 WO disclosed
WO-2008000438-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-03 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-20100048715-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 RORC 4604/4885P2RX1 344/4885TMPRSS4 4319/4885
US-20130184343-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 RORC 4599/4885P2RX1 341/4885TMPRSS4 4313/4885

“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.