SCHEMBL6431080

SCHEMBL6431080

O=C(O)c1ccccc1NC(=O)N(c1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.50
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
MASP2 O00187 1/20 0.48
RBP4 P02753 2/20 0.46
GRIK1 P39086 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
DHODH Q02127 1/20 0.44
CFD P00746 1/20 0.43
TAS2R14 Q9NYV8 3/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9505610 0.77 NPSR1 (0.40) KMT2AMEN1
SCHEMBL8359274 0.76 ABCC1 (0.54) ABCC1MASP2KMT2AMEN1PKM
SCHEMBL11107904 0.76 ALDH1A1 (0.50) KMT2AMEN1
SCHEMBL5476751 0.74 LMNA (0.39) KMT2AMEN1PKMLMNA
SCHEMBL432229 0.74 KCNK2 (0.55) KCNK2KCNK10MASP2GRIK1KMT2A
SCHEMBL6434411 0.73 GRIK1 (0.59) ABCC1RBP4GRIK1KMT2AMEN1
SCHEMBL6250057 0.73 HSD17B10 (0.43) KMT2AMEN1
SCHEMBL6250051 0.72 PDK1 (0.33) KMT2AMEN1
SCHEMBL4749159 0.70 DHODH (0.69) MASP2GRIK1KMT2AMEN1PKM
SCHEMBL13936398 0.70 DHODH (0.64) ABCC1MASP2KMT2AMEN1PKM

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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 ABCC1 2075/4885KCNK2 3002/4885KCNK10 1729/4885

“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.