SCHEMBL326629

SCHEMBL326629

Oc1cccc(-c2cc(C(F)(F)F)ccn2)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KMO O15229 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
P2RX7 Q99572 1/20 0.36
CNR2 P34972 1/20 0.36
CES2 O00748 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KDM1A O60341 3/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.34
TGFBR1 P36897 1/20 0.34
PDE9A O76083 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL322548 0.84 HSD17B10 (0.50) TLR7NOS3NOS2ALDH1A1HSD17B10
SCHEMBL321539 0.77 TLR7 (0.39) TLR7NOS3NOS2KMOALDH1A1
SCHEMBL1690539 0.75 TGFBR1 (0.39) TLR7NOS3NOS2KMOCNR2
SCHEMBL2938343 0.73 NOS3 (0.47) TLR7NOS3NOS2KMOALDH1A1
SCHEMBL28726696 0.73 NPC1 (0.49) NOS3NOS2MAPK1TAS2R14TGFBR1
SCHEMBL810884 0.73 NOS3 (0.61) NOS3NOS2KMOALDH1A1MAPK1
SCHEMBL5685446 0.73 NOS3 (0.50) NOS3NOS2MAPK1KDM1APOLB
SCHEMBL972297 0.72 HSD11B1 (0.45) NOS3NOS2MAPK1P2RX7CNR2
SCHEMBL24518498 0.71 NOS3 (0.43) TLR7NOS3NOS2KMOALDH1A1
SCHEMBL901856 0.71 NOS3 (0.51) TLR7NOS3NOS2MAPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E TLR7 1538/4885NOS3 1539/4885NOS2 1936/4885

“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.