SCHEMBL1993371

SCHEMBL1993371

FC(F)(F)c1cscc1COc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL7024874 0.82 IDO1 (0.53) IDO1MAOBMAOA
SCHEMBL745185 0.71 GPR3 (0.36)
SCHEMBL28545909 0.71 ALOX5AP (0.38)
SCHEMBL697657 0.70 FFAR1 (0.40) IDO1MAOB
SCHEMBL3326060 0.70 IDO1 (0.48) IDO1MAOB
SCHEMBL3974783 0.70 MAOB (0.35) IDO1MAOBMAOA
SCHEMBL4427337 0.69 IDO1 (0.46) IDO1MAOB
SCHEMBL3089435 0.69 HDAC1 (0.33)
SCHEMBL11567089 0.67 IDO1 (0.48) IDO1
SCHEMBL10839770 0.67 MAOB (0.44) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (2 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS IDO1 193/4885MAOB 828/4885MAOA 992/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS IDO1 394/4885MAOB 493/4885MAOA 476/4885

“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.