SCHEMBL1945841

SCHEMBL1945841

O=C(O)N1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 2/20 0.53
KCNAB1 Q14722 2/20 0.53
NR3C1 P04150 2/20 0.48
HTR6 P50406 4/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
MLNR O43193 2/20 0.45
GHSR Q92847 1/20 0.45
SERPINE1 P05121 2/20 0.44
TRIM24 O15164 1/20 0.44
EIF2AK2 P19525 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1I2 O75469 1/20 0.41

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
SCHEMBL1948780 0.92 KCNA1 (0.54) KCNA1KCNAB1
SCHEMBL1945839 0.74 KCNA1 (0.63) KCNA1KCNAB1NR3C1HTR6DRD2
SCHEMBL6625284 0.69 HTR6 (0.63) KCNA1KCNAB1HTR6DRD2DRD3
SCHEMBL1946008 0.69 KCNA1 (1.00) KCNA1KCNAB1HTR6DRD2DRD3
SCHEMBL2889311 0.67 IKBKB (0.67) HTR6SERPINE1NR1I2POLBUQCRB
SCHEMBL6163822 0.66 KCNA1 (0.72) KCNA1KCNAB1HTR6DRD2DRD3
SCHEMBL15352654 0.66 TACR3 (0.43)
SCHEMBL9052963 0.66 TACR3 (0.43)
Oxalic Acid SCHEMBL3904058 0.66 HTR6 (0.61) HTR6
SCHEMBL1948779 0.66 KCNA1 (0.65) KCNA1KCNAB1HTR6DRD2DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
EP-2066317-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES Lectus Therapeutics Limited (GB) 2009-06-10 EP disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO 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 (2 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-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 KCNA1 26/4885KCNAB1 40/4885NR3C1 2530/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A KCNA1 167/4885KCNAB1 98/4885NR3C1 347/4885

“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.