SCHEMBL550800

SCHEMBL550800

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 4/20 0.38
P2RX1 P51575 2/20 0.38
PTPN5 P54829 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 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
SCHEMBL551735 0.84 TSHR (0.42) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL3778792 0.77 MAPK1 (0.55) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL30822033 0.77 MAPK1 (0.55) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL19179770 0.76 APP (0.48) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL24191114 0.74 GPR35 (0.56) ALDH1A1TDP1HPGDALOX15HIF1A
SCHEMBL30429503 0.74 GPR35 (0.56) ALDH1A1TDP1HPGDALOX15HIF1A
SCHEMBL1755269 0.73 MAPT (0.51) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL550419 0.72 TSHR (0.44) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL550823 0.72 TSHR (0.44) TSHRALDH1A1TDP1CYP3A4HPGD
SCHEMBL550878 0.71 TSHR (0.57) TSHRALDH1A1TDP1CYP3A4HPGD

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 6 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
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 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 (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 2102/4885TDP1 3863/4885

“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.