SCHEMBL6789664

SCHEMBL6789664

O=C(Cl)c1ccccc1OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 5/20 0.46
PRMT5 O14744 1/20 0.45
MRGPRX1 Q96LB2 3/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL10451670 0.86 KDM4E (0.49) KDM4EALDH1A1PRMT5MRGPRX1NPSR1
SCHEMBL1434118 0.84 ALDH1A1 (0.59) KDM4EALDH1A1PRMT5MRGPRX1ALOX15
SCHEMBL11786107 0.83 MEN1 (0.59) KDM4EALDH1A1PRMT5MRGPRX1NPSR1
SCHEMBL3441526 0.83 HTT (0.54) KDM4EALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL11784830 0.83 ALDH1A1 (0.57) KDM4EALDH1A1PRMT5MRGPRX1NPSR1
SCHEMBL17859344 0.83 LMNA (0.60) KDM4EALDH1A1PRMT5HCRTR1HCRTR2
SCHEMBL11784824 0.81 KDM4E (0.46) KDM4EALDH1A1PRMT5MRGPRX1NPSR1
SCHEMBL27994489 0.81 KDM4E (0.46) KDM4EALDH1A1PRMT5MRGPRX1NPSR1
SCHEMBL15865897 0.80 ALDH1A1 (0.48) KDM4EALDH1A1ALOX15HCRTR1SMN1; SMN2
SCHEMBL9715644 0.80 ELANE (0.53) KDM4EALDH1A1NPSR1SMN1; SMN2KMT2A

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 3 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
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 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-20040220409-A1 Flecainide synthesis KCNH1, CYP3A43, CYP2F1 KDM4E 455/4885ALDH1A1 450/4885PRMT5 4648/4885

“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.