SCHEMBL888580

SCHEMBL888580

O=[N+]([O-])/C=C1\NCCCN1Cc1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 1.00
CHRNA7 P36544 2/20 1.00
CHRNA3 P32297 1/20 1.00
SMN1; SMN2 Q16637 1/20 0.89
CHRNB2 P17787 1/20 0.60
CHRNA4 P43681 1/20 0.60
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CASP6 P55212 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL888465 1.00 CHRNA1 (1.00) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL888464 1.00 CHRNA1 (1.00) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL10483912 0.99 CHRNA1 (0.98) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL888508 0.94 SMN1; SMN2 (1.00) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL888337 0.94 SMN1; SMN2 (1.00) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL6624321 0.94 SMN1; SMN2 (1.00) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL9069690 0.93 SMN1; SMN2 (0.98) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
Hydrochloric Acid SCHEMBL9069692 0.93 SMN1; SMN2 (0.98) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL10483849 0.89 CHRNA1 (0.79) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2
SCHEMBL7995337 0.87 CHRNA1 (0.77) CHRNA1CHRNA7CHRNA3SMN1; SMN2CHRNB2

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919979-B2 Fertilizer-compatible composition BAYER CROPSCIENCE LP (US) 2018-03-20 US disclosed
US-9662309-B2 Anti-demodicosis agent BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-30 US disclosed
US-9662309-B2 Anti-demodicosis agent BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-30 US disclosed
US-8993483-B2 Combination of active substances with insecticidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
US-8993483-B2 Combination of active substances with insecticidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
EP-2377845-B1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2015-01-28 EP disclosed
EP-2377845-B1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2015-01-28 EP disclosed
US-8841294-B2 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-23 US disclosed
US-8841294-B2 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-23 US disclosed
US-8728507-B2 Non-systemic control of parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-20070281950-A1 NITROMETHYLENE DERIVATIVES AND THEIR USE EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2007-12-06 US disclosed
US-20070275971-A1 Insecticidal compositions ERDELEN CHRISTOPH 2007-11-29 US disclosed
US-20070275971-A1 Insecticidal compositions ERDELEN CHRISTOPH 2007-11-29 US disclosed
US-20070232598-A1 Combination of Active Substances with Insecticidal Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
US-20070232598-A1 Combination of Active Substances with Insecticidal Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
EP-1826209-A1 NITROMETHYLENE DERIVATIVES AND THEIR USE East China University of Science and Technology (CN) 2007-08-29 EP disclosed
US-20070157507-A1 Method of controlling termites BAYER CROPSCIENCE LP 2007-07-12 US disclosed
US-20070157507-A1 Method of controlling termites BAYER CROPSCIENCE LP 2007-07-12 US disclosed
US-7214701-B2 Active substance combinations having insecticidal and acaricdal properties BAYER CROPSCIENCE AG (DE) 2007-05-08 US disclosed
US-7214701-B2 Active substance combinations having insecticidal and acaricdal properties BAYER CROPSCIENCE AG (DE) 2007-05-08 US 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 (3 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-20070275971-A1 Insecticidal compositions CBR3, CBR1, CNPY3 CHRNA1 137/4885CHRNA7 127/4885CHRNA3 69/4885
US-20070232598-A1 Combination of Active Substances with Insecticidal Properties ACHE, CHRM3, CHRNA2 CHRNA1 14/4885CHRNA7 10/4885CHRNA3 5/4885
US-20070281950-A1 NITROMETHYLENE DERIVATIVES AND THEIR USE L3MBTL4, L3MBTL1, NNMT CHRNA1 2712/4885CHRNA7 2429/4885CHRNA3 2351/4885

“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.