SCHEMBL1645072

SCHEMBL1645072

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 1/20 0.37
GRIN2B Q13224 2/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMO O15229 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCN9A Q15858 1/20 0.34
KDR P35968 3/20 0.34
COMT P21964 1/20 0.34
MAOB P27338 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL1644237 0.87 EGLN1 (0.46) EGLN1HPGDKMO
SCHEMBL1645063 0.84 KIF11 (0.46) EGLN1GRIN2BKIF11KMOMAOB
SCHEMBL1284869 0.82 MAOB (0.53) HPGDDHODHALDH1A1MAOBPDGFRB
SCHEMBL18988042 0.79 MGAM (0.44) EGLN1KMOPDGFRB
SCHEMBL18987862 0.79 MGAM (0.44) EGLN1GRIN2BKMOPDGFRBRXRA
SCHEMBL22317398 0.75 PIK3CD (0.43) MAPTHPGDHTTSMN1; SMN2GRIN2B
SCHEMBL20023727 0.73 PDGFRB (0.41) HPGDALDH1A1MAOBPDGFRB
SCHEMBL30447236 0.73 PDGFRB (0.41) HPGDALDH1A1MAOBPDGFRB
SCHEMBL18988146 0.73 MAOB (0.50) MAPTHPGDHTTGRIN2BALDH1A1
SCHEMBL18988087 0.73 MAOB (0.50) MAPTHPGDHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EGLN1 2285/4885MAPT 3251/4885HPGD 510/4885

“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.