SCHEMBL3480906

SCHEMBL3480906

Nc1cccc(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
AHR P35869 1/20 0.52
MAOA P21397 1/20 0.47
MAP4K4 O95819 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DPP4 P27487 3/20 0.43
SHMT1 P34896 1/20 0.43
SHMT2 P34897 1/20 0.43
CYP3A4 P08684 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14746640 0.85 ALDH1A1 (0.54) ALDH1A1MAOAMAP4K4PTGES2TSHR
SCHEMBL2235302 0.84 AHR (0.59) ALDH1A1AHRPTGES2TSHRRAB9A
SCHEMBL18152312 0.81 ALDH1A1 (0.50) ALDH1A1MAOAMAP4K4CYP3A4TDO2
SCHEMBL21022227 0.81 MAOA (0.44) ALDH1A1MAOAMAP4K4DPP4CYP3A4
SCHEMBL3363485 0.80 CYP2A6 (0.58) ALDH1A1MAOAMAP4K4RAB9ANPC1
SCHEMBL16573982 0.78 ALDH1A1 (0.50) ALDH1A1MAOAMAP4K4TSHRCYP3A4
SCHEMBL7136627 0.78 AHR (0.57) ALDH1A1AHRTSHRRAB9ATP53
SCHEMBL11421222 0.78 TSHR (0.55) ALDH1A1MAOAMAP4K4TSHRRAB9A
SCHEMBL632125 0.77 ALDH1A1 (0.73) ALDH1A1MAOAMAP4K4CYP3A4TDO2
SCHEMBL14054914 0.77 ITGB2 (0.59) ALDH1A1AHRTSHRRAB9ATP53

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 ALDH1A1 457/4885AHR 21/4885MAOA 2545/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 ALDH1A1 156/4885AHR 21/4885MAOA 2676/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 ALDH1A1 457/4885AHR 21/4885MAOA 2545/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 ALDH1A1 457/4885AHR 21/4885MAOA 2545/4885

“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.