SCHEMBL4963975

SCHEMBL4963975

O=[N+]([O-])c1ccc(Cl)cc1Sc1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 12/20 0.82
▸ PDE7B Q9NP56 4/20 0.63
▸ PDE4B Q07343 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ KMT2A Q03164 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ PLA2G4A P47712 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ BCL2L1 Q07817 1/20 0.49

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
SCHEMBL22815433 0.91 PDE7A (0.74) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL28405 0.90 PDE7A (0.77) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL10249311 0.87 PDE7A (1.00) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL8098834 0.84 PDE7A (0.64) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL7665295 0.83 PDE7A (0.67) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL9537682 0.82 MAPT (0.60) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL2962041 0.82 PDE7A (0.65) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL20535456 0.81 PDE7A (0.65) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL27561251 0.79 TXNRD1 (0.70) PDE7APDE7BPDE4BPDE4DTDP1
SCHEMBL2545546 0.79 MAPK1 (0.58) PDE7APDE7BPDE4BPDE4DKMT2A

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 PDE7A 2394/4885PDE7B 3069/4885PDE4B 2559/4885

“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.

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