SCHEMBL7643550

SCHEMBL7643550

CN/C(=N\[N+](=O)[O-])NCc1cnc(C)s1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 1/20 0.34
PDE10A Q9Y233 1/20 0.32
SCD O00767 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
RECQL P46063 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13448497 1.00 MAPK1 (0.35) MAPK1GRIN1GRIN2AGRIN2BPDE10A
SCHEMBL7643559 1.00 MAPK1 (0.35) MAPK1GRIN1GRIN2AGRIN2BPDE10A
SCHEMBL2786806 0.87 FPR2 (0.34)
Clothianidine SCHEMBL237824 0.87 RECQL (0.39) LMNARECQLALDH1A1MAPTPKM
Clothianidine SCHEMBL14273626 0.87 RECQL (0.39) LMNARECQLALDH1A1MAPTPKM
Clothianidine SCHEMBL2413061 0.87 RECQL (0.39) LMNARECQLALDH1A1MAPTPKM
Clothianidine SCHEMBL21214 0.87 RECQL (0.39) LMNARECQLALDH1A1MAPTPKM
SCHEMBL237828 0.87 FPR2 (0.34)
SCHEMBL237829 0.87 FPR2 (0.34)
SCHEMBL237130 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140350-A APPLYING NEONICOTINOID COMPOUND FOR CONTROLLING ECTOPARASITES THROUGH BLOOD OF A HOST ANIMAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US claimed
US-20170071203-A1 Active compound combinations having insecticidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 US disclosed
US-9549552-B2 Active compound combinations having insecticidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2017-01-24 US disclosed
US-20160058002-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-03-03 US disclosed
US-20150272931-A1 New Treatment NOVARTIS CENTRE DE RECHERCHE SANTE ANIMALE SA (CH) 2015-10-01 US disclosed
US-20080287425-A1 Method for Controlling Chinch Bugs FMC CORPORATION (US) 2008-11-20 US disclosed
US-6403058-B1 CONTROLLING TERMITES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
US-6391327-B1 SYNERGISTIC PESTICIDAL COMPOSITION COMPRISING PRALLETHRIN AND NEONICOTINOID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-21 US disclosed
US-6284782-B1 INSECTICIDES; SYNERGISTIC MIXTURES SUMITOMO CHEMICAL CO., LTD. (JP) 2001-09-04 US disclosed
US-6255340-B1 SYNERGISTIC MIXTURE OF PRALLETHRIN AND A NEONICOTINOID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-03 US disclosed
US-6201017-B1 TOPICALLY APPLYING TO ANIMAL A LIQUID MIXTURE COMPRISING 1-(TETRAHYDRUFURAN-3-YL)METHYL-3-METHYL-2-NITROGUANIDINE, A GLYCOL OR ITS MONOALKYL ETHER AND A SOLVENT TO CONTROL FLEAS, LICE, TICKS SUMITOMO CHEMICAL CO., LTD. (JP) 2001-03-13 US disclosed
US-6140350-A APPLYING NEONICOTINOID COMPOUND FOR CONTROLLING ECTOPARASITES THROUGH BLOOD OF A HOST ANIMAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
EP-0976328-A2 Ectoparasite controlling agent for animals SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
EP-0966961-A1 Method for controlling ectoparasites SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-29 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-20170071203-A1 Active compound combinations having insecticidal properties ACHE, BCHE, DDT MAPK1 3795/4885GRIN1 1299/4885GRIN2A 2417/4885
US-20150272931-A1 New Treatment NISCH, TYR, DDT MAPK1 3727/4885GRIN1 2749/4885GRIN2A 2056/4885
US-20080287425-A1 Method for Controlling Chinch Bugs NISCH, NIT2, COX6C MAPK1 4219/4885GRIN1 4567/4885GRIN2A 4106/4885
US-20160058002-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL PROPERTIES DDT, ACHE, TIAL1 MAPK1 3961/4885GRIN1 906/4885GRIN2A 1836/4885

“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.