SCHEMBL3480472

SCHEMBL3480472

c1cc(-c2c[nH]nn2)ccc1Sc1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ NR1H2 P55055 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ NEK2 P51955 1/20 0.30
▸ LIMK1 P53667 1/20 0.30

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
SCHEMBL13078874 0.87 METAP2 (0.32) —
SCHEMBL3508077 0.78 METAP2 (0.45) MAPK1
SCHEMBL5612895 0.78 LMNA (0.43) DDAH1NOS1CYP3A4MAPK1CHEK1
SCHEMBL916254 0.77 IDO1 (0.35) —
SCHEMBL5612785 0.77 RPA1 (0.44) —
SCHEMBL20848 0.77 KMT2A (0.44) —
SCHEMBL12989702 0.77 AKT1 (0.48) CYP3A4MAPK1
SCHEMBL105252 0.77 RAB9A (0.40) TSHRMAPK1CLK4
SCHEMBL6166437 0.77 METAP2 (0.44) —
SCHEMBL3283468 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105960395-B Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests 巴斯夫欧洲公司 2020-05-01 — — CN disclosed
CN-105473584-B Thiophene-or furan-substituted isothiazoline compounds 勃林格殷格翰动物保健美国公司 2020-01-31 — — CN disclosed
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 CTRC 136/4885PTGIR 3774/4885NR1H2 2617/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 CTRC 50/4885PTGIR 4178/4885NR1H2 2517/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 CTRC 136/4885PTGIR 3774/4885NR1H2 2617/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 CTRC 136/4885PTGIR 3774/4885NR1H2 2617/4885

“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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