SCHEMBL326628

SCHEMBL326628

Oc1ccc(-c2cccc(C(F)(F)F)n2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.46
TGFBR1 P36897 1/20 0.40
NOTUM Q6P988 1/20 0.40
IDH1 O75874 3/20 0.39
IDH2 P48735 1/20 0.39
HSD17B14 Q9BPX1 4/20 0.39
GRIN2B Q13224 2/20 0.38
POLB P06746 2/20 0.38
GRIN1 Q05586 1/20 0.38
LMNA P02545 1/20 0.38
CETP P11597 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA1 P14867 1/20 0.37

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
SCHEMBL16385298 0.82 HSD17B1 (0.53) COMTTGFBR1NOTUMIDH1IDH2
SCHEMBL322547 0.77 ALDH1A1 (0.64) COMTTGFBR1NOTUMIDH1IDH2
SCHEMBL321538 0.75 COMT (0.44) COMTTGFBR1NOTUMIDH1IDH2
SCHEMBL3593087 0.75 FYN (0.48) POLBLMNAALDH1A1MAPTHPGD
SCHEMBL1690538 0.75 COMT (0.47) COMTTGFBR1NOTUMIDH1IDH2
SCHEMBL326404 0.72 PIK3CA (0.46)
SCHEMBL1690559 0.72 NOTUM (0.44) NOTUMGRIN2BGRIN1
SCHEMBL19072795 0.72 MPL (0.54) COMTTGFBR1NOTUMIDH1IDH2
SCHEMBL15624402 0.72 NOTUM (0.58) NOTUMIDH1IDH2GABRA1GABRG2
SCHEMBL30395354 0.72 NOTUM (0.58) NOTUMIDH1IDH2GABRA1GABRG2

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 COMT 3708/4885TGFBR1 4108/4885NOTUM 3342/4885

“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.