SCHEMBL3216577

SCHEMBL3216577

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.50
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
HTT P42858 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A9 P48067 1/20 0.38
VCAM1 P19320 1/20 0.38

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
SCHEMBL3220394 0.85 RORC (0.53) RORCP2RX1TMPRSS4HTTKMT2A
SCHEMBL3226967 0.82 AR (0.36) TMPRSS4KMT2AMEN1GAAMAPT
SCHEMBL3210249 0.82 MAPT (0.44) HTTKMT2AMEN1GAANPC1
SCHEMBL3212463 0.81 RORC (0.48) RORCP2RX1TMPRSS4HTTKMT2A
SCHEMBL27953249 0.80 PDK1 (0.43) P2RX1HTTKMT2AMEN1NPC1
SCHEMBL3222044 0.80 AR (0.36) P2RX1TMPRSS4HTTKMT2AMEN1
SCHEMBL3216351 0.78 MEN1 (0.43) HTTKMT2AMEN1GAAHPGD
SCHEMBL1842685 0.77 ALDH1A1 (0.57) HTTKMT2AMEN1GAANPC1
SCHEMBL3706541 0.77 MAPT (0.42) HTTKMT2AMEN1GAANPC1
SCHEMBL3205435 0.77 AR (0.34) TMPRSS4HTTKMT2AMEN1MAPT

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 RORC 4799/4885P2RX1 528/4885TMPRSS4 4515/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 RORC 4744/4885P2RX1 456/4885TMPRSS4 4526/4885

“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.