SCHEMBL237015

SCHEMBL237015

O=[N+]([O-])N=C1NCCN1Cc1cnc(F)s1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRNA1 P02708 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
POLB P06746 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
SCHEMBL9069000 1.00 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
Imidaclothiz SCHEMBL238122 0.87 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
Imidaclothiz SCHEMBL676082 0.87 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL234983 0.87 CHRNB2 (0.50) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069332 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237765 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069331 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7982213 0.80 CHRNB2 (0.48) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9068969 0.79 CHRNB2 (0.43) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237959 0.77 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP claimed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-2225940-B1 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION GMBH (AT) 2014-03-12 EP disclosed
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
EP-2225940-A1 Oil dispersions of nAChR binding neonicotinoids GAT Microencapsulation AG (AT) 2010-09-08 EP disclosed
US-5521176-A Agrochemical compositions containing certain N-heterocycligs, compounds and stabilizer NIHON BAYER AGROCHEM K.K. (JP) 1996-05-28 US disclosed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP disclosed
US-5260312-A A heterocyclic compound, organophosphorous compounds and one or more compounds having polyethylene glycol or polypropylene glycol or their copolymer NIHON BAYER AGROCHEM K.K. (JP) 1993-11-09 US disclosed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP disclosed
US-5165934-A Heterocyclic compounds, organophosphorous compounds, amorphous silica; insecticides, fungicides NIHON BAYER AGROCHEM K.K. (JP) 1992-11-24 US disclosed
US-5140019-A Mixtures of substituted imidazolines and organophosphorus compounds with polyether stabilizers NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-08-18 US disclosed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP disclosed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 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 CHRNB2 21/4885CHRNA4 10/4885SMN1; SMN2 626/4885

“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.