SCHEMBL5961597

SCHEMBL5961597

O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1CCCSCCCc1cc(-n2ccc(C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
NPC1 O15118 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
SCN9A Q15858 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MET P08581 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
ACLY P53396 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6358778 0.81 NPC1 (0.44) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL3480556 0.77 MAPT (0.44) ARNPC1MAPTRAB9APOLB
SCHEMBL1836548 0.77 HPGD (0.47) ARNPC1MAPTRAB9APOLB
SCHEMBL3480633 0.76 MAPT (0.42) ARNPC1MAPTRAB9APOLB
SCHEMBL2162184 0.70 HTT (0.60) ARNPC1MAPTRAB9APOLB
SCHEMBL1837562 0.68 HPGD (0.45) ARNPC1MAPTRAB9APOLB
SCHEMBL9081631 0.67 TSHR (0.44) ARNPC1MAPTRAB9APOLB
SCHEMBL30276683 0.66 MAPT (0.47) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL28011927 0.65 ALDH1A1 (0.37) NPC1MAPTRAB9APOLBNPSR1
SCHEMBL29229681 0.65 AR (0.66) ARMAPTRAB9APOLBNPSR1

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
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 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-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 AR 419/4885NPC1 2264/4885MAPT 4460/4885

“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.