SCHEMBL322131

SCHEMBL322131

Oc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.46
COMT P21964 1/20 0.46
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDR P35968 1/20 0.41
CYP1A2 P05177 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL2698021 0.82 NOTUM (0.61) NOTUMCOMTHTR3EHTR3BHTR3A
SCHEMBL322688 0.79 KIF11 (0.59) NOTUMCOMTHTR3EHTR3BHTR3A
SCHEMBL19880348 0.75 APP (0.55) HSD17B1HSD17B2KDM4E
SCHEMBL28260235 0.75 CHUK (0.51) NOTUMCOMTTMPRSS4HTR3EHTR3B
SCHEMBL31379539 0.74 TMPRSS4 (0.38) NOTUMCOMTTMPRSS4HTR3EHTR3B
SCHEMBL17959909 0.74 TMPRSS4 (0.38) NOTUMCOMTTMPRSS4HTR3EHTR3B
SCHEMBL1938893 0.73 HSD17B1 (0.65) HSD17B1HSD17B2
SCHEMBL29485676 0.73 HSD17B1 (0.65) HSD17B1HSD17B2
SCHEMBL1041571 0.73 NOTUM (0.53) NOTUMHTR3EHTR3BHTR3AHTR3D
SCHEMBL28863186 0.72 NOTUM (0.45) NOTUMCOMTHTR3EHTR3BHTR3A

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 NOTUM 3342/4885COMT 3708/4885HSD17B1 3123/4885

“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.