SCHEMBL237829

SCHEMBL237829

CNC(=N[N+](=O)[O-])NCc1cnc(Br)s1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 1/20 0.32
FPR3 P25089 1/20 0.31
ATG4B Q9Y4P1 2/20 0.31

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
SCHEMBL2786806 1.00 FPR2 (0.34) FPR2HDAC1HDAC2HDAC6FPR3
SCHEMBL237828 1.00 FPR2 (0.34) FPR2HDAC1HDAC2HDAC6FPR3
SCHEMBL13448497 0.87 MAPK1 (0.35)
SCHEMBL7643550 0.87 MAPK1 (0.35)
Clothianidine SCHEMBL14273626 0.87 RECQL (0.39)
SCHEMBL7643559 0.87 MAPK1 (0.35)
Clothianidine SCHEMBL2413061 0.87 RECQL (0.39)
Clothianidine SCHEMBL21214 0.87 RECQL (0.39)
Clothianidine SCHEMBL237824 0.87 RECQL (0.39)
SCHEMBL236377 0.86 ATG4B (0.31) ATG4B

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 23 patents — showing the first 20. 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-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 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
CN-1060615-C Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-17 CN 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
US-5489603-A CONTAINING NITROGEN HETEROCYCLIC RINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0493369-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-11-08 EP disclosed
EP-0665222-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1995-08-02 EP disclosed
CN-1026981-C Process for the preparation of guanidine derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-14 CN disclosed
CN-1077843-A GUANIDINE DERIVATIVES, THEIR PRODUCTION AND INSECTICIDES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN disclosed
EP-0376279-B1 GUANIDINE DERIVATIVES, THEIR PRODUCTION AND INSECTICIDES Takeda Chemical Industries, Ltd. (JP) 1993-05-19 EP disclosed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed
US-5034404-A Nitroguanidines as insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-23 US disclosed
CN-1045261-A Guanidine derivatives, their production and pesticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-09-12 CN disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 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 (1 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 FPR2 410/4885HDAC1 2374/4885HDAC2 661/4885

“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.