SCHEMBL322688

SCHEMBL322688

Oc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.59
AR P10275 1/20 0.57
NOTUM Q6P988 9/20 0.51
ESR2 Q92731 1/20 0.48
COMT P21964 1/20 0.47
IDO1 P14902 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KDR P35968 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CYP1A2 P05177 1/20 0.45

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 0.88 NOTUM (0.61) NOTUMCOMTIDO1HTR3EHTR3B
SCHEMBL29642223 0.84 TRPV1 (0.54) NOTUMIDO1HTR3EHTR3BHTR3A
SCHEMBL364052 0.84 TRPV1 (0.54) NOTUMIDO1HTR3EHTR3BHTR3A
SCHEMBL1041571 0.82 NOTUM (0.53) KIF11ARNOTUMESR2IDO1
SCHEMBL12508243 0.81 AR (0.57) ARNOTUMCOMTIDO1HTR3E
SCHEMBL5513337 0.80 KIF11 (0.63) KIF11NOTUMIDO1HTR3EHTR3B
SCHEMBL14471458 0.80 NOTUM (0.49) NOTUMCOMTCYP1A2
SCHEMBL700817 0.79 NOTUM (0.51) ARNOTUMIDO1HTR3EHTR3B
SCHEMBL322131 0.79 NOTUM (0.46) NOTUMCOMTIDO1HTR3EHTR3B
SCHEMBL17297750 0.78 NOTUM (0.49) NOTUMCOMTCYP1A2

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 KIF11 3321/4885AR 1978/4885NOTUM 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.