SCHEMBL1000236

SCHEMBL1000236

FC(F)(F)c1cccc(Cl)c1NBr

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
P2RX7 Q99572 2/20 0.41
TYK2 P29597 1/20 0.39
HPGD P15428 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GBA1 P04062 1/20 0.36
HSD11B1 P28845 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
CLCN2 P51788 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL30997138 0.82 PTGS2 (0.50) PTGS2L3MBTL1P2RX7TYK2HPGD
SCHEMBL4721610 0.80 L3MBTL1 (0.47) PTGS2L3MBTL1P2RX7TYK2HPGD
SCHEMBL8489034 0.78 PTGS2 (0.44) PTGS2L3MBTL1P2RX7TYK2HPGD
SCHEMBL9511244 0.78 CYP1A2 (0.43) TYK2TDP1ALDH1A1
SCHEMBL11614677 0.76 PTGS2 (0.46) PTGS2L3MBTL1TYK2HPGDPDK1
SCHEMBL11884358 0.74 L3MBTL1 (0.47) PTGS2L3MBTL1TYK2HPGDPDK1
SCHEMBL5022119 0.74 L3MBTL1 (0.53) PTGS2L3MBTL1TYK2HPGDPDK1
SCHEMBL8094947 0.72 P2RX7 (0.40) PTGS2L3MBTL1P2RX7TYK2POLB
SCHEMBL10873508 0.72 P2RX7 (0.44) PTGS2L3MBTL1P2RX7TYK2PDK2
SCHEMBL30901313 0.72 P2RX7 (0.44) PTGS2L3MBTL1P2RX7TYK2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
EP-2531024-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2012-12-12 EP disclosed
WO-2011094186-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-08-04 WO disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 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-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNQ2, KCNQ1, KCNQ5 PTGS2 2098/4885L3MBTL1 2043/4885P2RX7 162/4885

“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.