SCHEMBL322295

SCHEMBL322295

Oc1cc(-c2ccc(F)cc2)c(Cl)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.42
MAPK14 Q16539 5/20 0.40
GCGR P47871 4/20 0.40
PTGS2 P35354 3/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 1/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3B P49841 1/20 0.34
AHR P35869 1/20 0.34
ERCC1 P07992 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
SCHEMBL323006 0.93 GCGR (0.43) RPS6KA3MAPK14GCGRPTGS2KDM4E
SCHEMBL322244 0.81 ESR2 (0.43) NPC1TP53RAB9ASMN1; SMN2CLK4
SCHEMBL322242 0.75 ESR2 (0.43) NPC1TP53RAB9ASMN1; SMN2CLK4
SCHEMBL17251288 0.74 PTGS2 (0.48) RPS6KA3PTGS2KDM4ENPC1RAB9A
SCHEMBL322901 0.74 HSP90AA1 (0.40) KDM4EPIK3CA
SCHEMBL321988 0.72 RPS6KA3 (0.47) RPS6KA3MAPK14GCGRPTGS2KDM4E
SCHEMBL322288 0.72 ESR1 (0.61) RPS6KA3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL321906 0.72 HSD17B10 (0.46) RPS6KA3PTGS2KDM4ENPC1RAB9A
SCHEMBL1262207 0.70 GRM2 (0.48) RPS6KA3MAPK14GCGRPTGS2KDM4E
SCHEMBL31067069 0.70 GRM2 (0.48) RPS6KA3MAPK14GCGRPTGS2KDM4E

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 11 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
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
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US 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
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
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US 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 RPS6KA3 842/4885MAPK14 1820/4885GCGR 2419/4885

“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.