SCHEMBL6796283

SCHEMBL6796283

O=C(c1ccccc1)N(OCC(F)(F)F)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
POLQ O75417 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7692047 0.81 TSHR (0.59) TSHRTP53THRBALDH1A1MEN1
SCHEMBL15903204 0.77 MAPK14 (0.41) TP53ALDH1A1L3MBTL1HTTTRPM8
SCHEMBL16654075 0.77 TSHR (0.54) TSHRTP53THRBALDH1A1NPC1
SCHEMBL3480428 0.76 KMT2A (0.43) TSHRMEN1KMT2AL3MBTL1TRPM8
SCHEMBL15904408 0.74 TSHR (0.54) TSHRTP53THRBALDH1A1NPC1
SCHEMBL17892578 0.74 MAPK14 (0.45) TSHRTP53ALDH1A1NPC1L3MBTL1
SCHEMBL15903063 0.73 MAPK14 (0.40) TSHRHTTTRPM8POLQ
SCHEMBL5225088 0.70 TSHR (0.59) TSHRTP53THRBALDH1A1NPC1
SCHEMBL17675195 0.70 TSHR (0.59) TSHRTP53THRBALDH1A1NPC1
SCHEMBL15903294 0.69 MAPK14 (0.42) ALDH1A1MEN1KMT2AL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220409-A1 Flecainide synthesis MCDANIEL WILLIAM C 2004-11-04 US claimed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO claimed

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-20040220409-A1 Flecainide synthesis KCNH1, CYP3A43, CYP2F1 TSHR 245/4885TP53 4843/4885THRB 579/4885

“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.