SCHEMBL2893276

SCHEMBL2893276

C#CCN(Cc1ccc(Cl)nc1)C1=CC(=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MT-CO2 P00403 1/20 0.33
ALDH1A1 P00352 1/20 0.32
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

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
SCHEMBL2890160 0.84 MT-CO2 (0.37) MT-CO2ALDH1A1
SCHEMBL2890048 0.82 MT-CO2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2891830 0.81 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2892730 0.79 MT-CO2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895186 0.79 CHRNA1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1165144 0.75 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL15182351 0.75 L3MBTL1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15182350 0.74 ALDH1A1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21724510 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2893284 0.71 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-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-2009046837-A2 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2009-04-16 WO 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 PSEN1 4114/4885PSEN2 3982/4885APH1B 3292/4885
US-20100173943-A1 INSECTICIDAL COMPOSITIONS WITH IMPROVED ACTION PTEN, PHOSPHO1, ACHE PSEN1 477/4885PSEN2 833/4885APH1B 94/4885
US-20130303376-A1 METHODS OF IMPROVING PLANT GROWTH MYCBP, MYB, MRPL37 PSEN1 4217/4885PSEN2 4047/4885APH1B 3517/4885

“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.