SCHEMBL2895186

SCHEMBL2895186

C#CCN(Cc1ccc(Cl)nc1)C1=CC(=O)OC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 1/20 0.31
PYCR1 P32322 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
SCHEMBL16585723 0.88 CHRNA7 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL1165144 0.87 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL2893249 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3025243 0.83 L3MBTL1 (0.42) ALDH1A1KDM1A
SCHEMBL1801176 0.82 ALDH1A1 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL120449 0.82 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL1800501 0.82 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL28892260 0.82 CYP1A2 (0.33) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL28892254 0.82 MDM2 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL28892309 0.82 KDM1A (0.35) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-11-11 US claimed
US-20130303376-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2013-11-14 US disclosed
US-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
US-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
US-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
US-20100173943-A1 INSECTICIDAL COMPOSITIONS WITH IMPROVED ACTION BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-20100173943-A1 INSECTICIDAL COMPOSITIONS WITH IMPROVED ACTION BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-20100173943-A1 INSECTICIDAL COMPOSITIONS WITH IMPROVED ACTION BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
WO-2009118027-A1 SUSPENSION CONCENTRATES FOR IMPROVING ROOT UPTAKE OF AGROCHEMICALLY ACTIVE COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-10-01 WO disclosed
WO-2009118025-A1 METHOD FOR CONTROLLING ANIMAL PEST AND PLANT PATHOGENIC FUNGI BY APPLYING AN AGROCHEMICAL COMPOSITION INTO THE CULTURE MEDIUM, SUITABLE FORMULATION AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-10-01 WO disclosed
WO-2009118025-A1 METHOD FOR CONTROLLING ANIMAL PEST AND PLANT PATHOGENIC FUNGI BY APPLYING AN AGROCHEMICAL COMPOSITION INTO THE CULTURE MEDIUM, SUITABLE FORMULATION AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-10-01 WO disclosed
EP-2090168-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-08-19 EP disclosed
EP-2044841-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-04-08 EP disclosed
WO-2008148483-A1 INSECTICIDE COMPOSITIONS HAVING AN IMPROVED EFFECT BAYER CROPSCIENCE AG (DE) 2008-12-11 WO disclosed
EP-2000027-A1 Insecticide compounds with improved effect Bayer CropScience AG (DE) 2008-12-10 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 (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-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH MYCBP, MYB, MRPL37 CHRNA1 4612/4885CHRNB2 4616/4885CHRNA3 4613/4885
US-20100173943-A1 INSECTICIDAL COMPOSITIONS WITH IMPROVED ACTION PTEN, PHOSPHO1, ACHE CHRNA1 3013/4885CHRNB2 2060/4885CHRNA3 1816/4885
US-20130303376-A1 METHODS OF IMPROVING PLANT GROWTH MYCBP, MYB, MRPL37 CHRNA1 4516/4885CHRNB2 4564/4885CHRNA3 4557/4885

“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.