SCHEMBL3480893

SCHEMBL3480893

CCSc1cc(-c2ccc(Cl)cc2Cl)ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AHR P35869 1/20 0.42
CNR1 P21554 12/20 0.41
CNR2 P34972 6/20 0.41
AR P10275 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40

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 0.83 NOS2 (0.47) KDM4EMAPTTDP1ALDH1A1HPGD
SCHEMBL3480466 0.75 CYP11B2 (0.54) KDM4EMAPTTDP1AHRCNR1
SCHEMBL1017624 0.74 KDM4E (0.45) KDM4EMAPTTDP1ALDH1A1NPC1
SCHEMBL3480503 0.73 AR (0.50) KDM4EMAPTTDP1ALDH1A1HPGD
SCHEMBL16529340 0.71 PKM (0.53) KDM4EMAPTTDP1ALDH1A1NPC1
SCHEMBL18793099 0.68 ITGB2 (0.47) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL101711 0.67 TRPV4 (0.61) KDM4EMAPTTDP1ARMAOA
SCHEMBL29033897 0.67 AR (0.50) KDM4EMAPTAR
SCHEMBL30122081 0.67 MAOA (0.46) KDM4EMAPTTDP1ALDH1A1HPGD
SCHEMBL6229277 0.67 MAOA (0.46) KDM4EMAPTTDP1ALDH1A1HPGD

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 KDM4E 1219/4885MAPT 4460/4885TDP1 4572/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 KDM4E 654/4885MAPT 4619/4885TDP1 4146/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 KDM4E 1219/4885MAPT 4460/4885TDP1 4572/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 KDM4E 1219/4885MAPT 4460/4885TDP1 4572/4885

“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.