SCHEMBL3480503

SCHEMBL3480503

CCCSc1cc(Cl)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.50
NOS2 P35228 9/20 0.44
CYP2D6 P10635 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL27999937 0.88 NOS2 (0.47) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL15357992 0.87 AR (0.44) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL8608813 0.78 AR (0.58) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL6229277 0.77 MAOA (0.46) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL30122081 0.77 MAOA (0.46) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL6230783 0.75 AR (0.47) ARMAOAMAOBKDM4EMAPT
SCHEMBL22804940 0.74 MAOB (0.58) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL1017624 0.74 KDM4E (0.45) ARNOS2CYP2D6SLC6A2SLC6A4
SCHEMBL3480893 0.73 KDM4E (0.54) ARMAOAMAOBKDM4EMAPT
SCHEMBL17080256 0.72 MAOB (0.63) ARCYP2D6MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767626-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-03 US disclosed
US-7612105-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-11-03 US disclosed
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-02 US disclosed
EP-1076053-B1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-11-29 EP disclosed
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 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-6858639-B2 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-02-22 US disclosed
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-04-10 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
EP-1076053-A1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-02-14 EP 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 (4 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-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 AR 419/4885NOS2 1397/4885CYP2D6 60/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 AR 537/4885NOS2 2305/4885CYP2D6 34/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 AR 419/4885NOS2 1397/4885CYP2D6 60/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 AR 419/4885NOS2 1397/4885CYP2D6 60/4885

“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.