SCHEMBL1964417

SCHEMBL1964417

C=CCC1(S)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL1964949 0.97
SCHEMBL13563612 0.86
SCHEMBL3963259 0.72 POLB (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL3960623 0.72 POLB (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL1659297 0.72 POLB (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL371283 0.72 POLB (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL3961575 0.72 POLB (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL486417 0.69 MEN1 (0.30) MEN1ALDH1A1POLBKMT2A
SCHEMBL3962132 0.69 MEN1 (0.30) MEN1ALDH1A1POLBKMT2A
SCHEMBL7561906 0.68 MEN1 (0.31) MEN1ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-20060173022-A1 Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-08-03 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US disclosed
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED 2004-01-08 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 (4 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 MEN1 1714/4885ALDH1A1 1058/4885POLB 2535/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 MEN1 1989/4885ALDH1A1 1311/4885POLB 1994/4885
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use CBR1, HCN1, SCN1A MEN1 1454/4885ALDH1A1 1221/4885POLB 4168/4885
US-20060173022-A1 Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides CBR3, CBR1, C3AR1 MEN1 2370/4885ALDH1A1 1821/4885POLB 4212/4885

“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.