SCHEMBL1645675

SCHEMBL1645675

O=C(O)c1cnc2cc(C(F)(F)F)c(F)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
EGLN1 Q9GZT9 2/20 0.45
VNN1 O95497 3/20 0.43
KMO O15229 2/20 0.40
ASPH Q12797 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PSMD14 O00487 1/20 0.36
ALKBH2 Q6NS38 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36
FTO Q9C0B1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL1645063 0.87 KIF11 (0.46) EGLN1VNN1KMO
SCHEMBL7086111 0.84 MGAM (0.56) MGAMEGLN1VNN1ASPHHCAR2
SCHEMBL1644237 0.84 EGLN1 (0.46) MGAMEGLN1KMOASPHHCAR2
SCHEMBL5760476 0.82 MGAM (0.47) MGAMEGLN1VNN1ASPHL3MBTL1
SCHEMBL1285368 0.80 MAOB (0.54) L3MBTL1PDGFRBPDGFRA
SCHEMBL19021347 0.80 MGAM (0.51) MGAMVNN1ASPHHCAR2PSMD14
SCHEMBL24358304 0.78 MGAM (0.50) MGAMEGLN1KMOHCAR2PSMD14
SCHEMBL23813009 0.78 MGAM (0.50) MGAMASPHHCAR2PSMD14PDGFRB
Bromide SCHEMBL18987913 0.78 MGAM (0.50) MGAMVNN1ASPHHCAR2PSMD14
Hydrochloric Acid SCHEMBL18987456 0.78 MGAM (0.50) MGAMVNN1ASPHHCAR2PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 (1 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MGAM 4656/4885EGLN1 2285/4885VNN1 1986/4885

“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.