SCHEMBL1643326

SCHEMBL1643326

CC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TMPRSS4 Q9NRS4 2/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
MELK Q14680 2/20 0.34
GRM4 Q14833 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NFKB1 P19838 2/20 0.33
NR3C1 P04150 1/20 0.33
ATF1 P18846 1/20 0.33
DHODH Q02127 1/20 0.33
XPO1 O14980 1/20 0.33
JUN P05412 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL1643933 0.85 MELK (0.38) MAPTLMNAMELKGRM4NPSR1
SCHEMBL1284905 0.83 PDE5A (0.45) MAPTNPSR1GAAL3MBTL1KMT2A
SCHEMBL1644208 0.75 KCNQ3 (0.38) MAPTMELKGRM4KMT2AMEN1
SCHEMBL23575518 0.73 KMT2A (0.46) MAPTNPSR1GAAL3MBTL1KMT2A
SCHEMBL1688423 0.72 PDE5A (0.46) MAPTNPSR1GAAL3MBTL1KMT2A
SCHEMBL1645072 0.71 EGLN1 (0.38) HTTMAPTNPSR1KMT2AMEN1
SCHEMBL1645669 0.70 KIF11 (0.38) MAPTMELKKMT2AMEN1ALDH1A1
SCHEMBL31591111 0.70 KDR (0.42) HTTTMPRSS4MAPTLMNAGRM4
SCHEMBL21598904 0.69 MAPT (0.41) MAPTLMNANPSR1GAAL3MBTL1
SCHEMBL23575593 0.68 NUDT1 (0.62)

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 TSHR 2959/4885HTT 3273/4885TMPRSS4 1784/4885

“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.