SCHEMBL550823

SCHEMBL550823

Cc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 3/20 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
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.42
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
P2RX1 P51575 2/20 0.39
PTPN5 P54829 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
SCHEMBL3778792 0.80 MAPK1 (0.55) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL30822033 0.80 MAPK1 (0.55) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL31177873 0.77 MAPT (0.47) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL1830804 0.77 MAPT (0.39) TSHRCYP3A4ALDH1A1HPGDMAPT
SCHEMBL13344094 0.76 MAPT (0.53) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL2892034 0.75 MAPT (0.38) TSHRALDH1A1HPGDMAPTNR3C1
SCHEMBL550419 0.74 TSHR (0.44) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL550610 0.74 SKP2 (0.45) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL1835059 0.74 MAPT (0.37) TSHRALDH1A1TDP1HPGDMAPT
SCHEMBL2161240 0.74 MAPT (0.45) TSHRCYP3A4ALDH1A1MAPTNR3C1

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 926/4885CYP3A4 358/4885ALDH1A1 2102/4885

“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.