SCHEMBL322243

SCHEMBL322243

Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
KIF11 P52732 1/20 0.41
IDO1 P14902 1/20 0.40
NOTUM Q6P988 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
S1PR1 P21453 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
SCN2A Q99250 1/20 0.40
MAOB P27338 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL321794 0.87 S1PR1 (0.49) KIF11S1PR1ALDH1A1
SCHEMBL320908 0.85 S1PR1 (0.46) KIF11S1PR1SCN2AALDH1A1
SCHEMBL323025 0.83 RORB (0.44) EPHX2GRIN1GRIN2BIDO1NOTUM
SCHEMBL322193 0.81 ALOX5 (0.50) ALOX15ALOX12MAPTALDH1A1
SCHEMBL19379460 0.80 TOP2A (0.42) EPHX2KIF11PARP10PARP11ALOX15
SCHEMBL1690822 0.79 NOTUM (0.43) GRIN1GRIN2BIDO1NOTUMPARP10
SCHEMBL10250267 0.78 MCL1 (0.48) KDM1A
SCHEMBL17293823 0.78 THRA (0.41) EPHX2GRIN1GRIN2BNOTUMALOX15
SCHEMBL321946 0.78 TRPA1 (0.46) ALDH1A1
SCHEMBL1690921 0.78 KCNH2 (0.42) S1PR1

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 EPHX2 3330/4885GRIN1 224/4885GRIN2B 564/4885

“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.