SCHEMBL550419

SCHEMBL550419

Cc1cc(C(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 3/20 0.42
P2RX1 P51575 2/20 0.41
AR P10275 2/20 0.41
TTR P02766 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3778792 0.83 MAPK1 (0.55) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL30822033 0.83 MAPK1 (0.55) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL27705161 0.79 TSHR (0.51) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL29910964 0.77 MAPT (0.50) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL6690245 0.77 MAPT (0.50) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL550878 0.76 TSHR (0.57) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL551735 0.75 TSHR (0.42) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL551262 0.75 GAA (0.40) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL550823 0.74 TSHR (0.44) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL30934663 0.72 MEN1 (0.47) TSHRALDH1A1CYP3A4TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 TSHR 926/4885ALDH1A1 2102/4885CYP3A4 358/4885

“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.