SCHEMBL4965836

SCHEMBL4965836

O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 3/20 0.54
S1PR4 O95977 4/20 0.52
LMNA P02545 3/20 0.50
TTR P02766 3/20 0.50
MAPT P10636 2/20 0.50
PDE7A Q13946 2/20 0.50
HSP90AA1 P07900 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HSPA5 P11021 1/20 0.50
CBR1 P16152 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
AGTR1 P30556 1/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.46

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
SCHEMBL10847574 0.91 TDP1 (0.65) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL28360626 0.90 TSHR (0.54) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL3654191 0.88 PDE7A (0.63) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL17396512 0.88 TSHR (0.59) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL640965 0.87 HPGD (0.73) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL30392319 0.87 HPGD (0.73) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL3040632 0.87 TDP1 (0.61) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL9658662 0.86 VCAM1 (0.55) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL9658651 0.85 TDP1 (0.56) MAPK1TSHRTDP1HPGDS1PR4
SCHEMBL2398612 0.84 PTGDR2 (0.46) MAPK1TSHRTDP1HPGDS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890547-A2 CONTROL OF PARASITES IN ANIMALS BY N-[(PHENYLOXY)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE AND N-[(PHENYLSULFANYL)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE DERIVATIVES Schering-Plough Ltd. (CH) 2008-02-27 EP disclosed
WO-2006135648-A2 CONTROL OF PARASITES IN ANIMALS BY N-[(PHENYLOXY)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE AND N-[(PHENYLSULFANYL)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-12-21 WO disclosed
US-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2006-12-14 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-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives ELANE, CTRL, PIGO MAPK1 1153/4885TSHR 2010/4885TDP1 1217/4885

“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.