SCHEMBL3208018

SCHEMBL3208018

O=S(=O)(c1cccc(F)c1)c1cnc2c(Cl)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.60
HTR6 P50406 3/20 0.60
NFE2L2 Q16236 8/20 0.48
GRM5 P41594 2/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 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
SCHEMBL4232976 0.89 HTR2A (0.47) HTR2AHTR6NFE2L2GRM5HTR1A
SCHEMBL19327019 0.86 HTR2A (0.62) HTR2AHTR6NFE2L2GRM5HTR1A
SCHEMBL2198627 0.84 HTR2A (0.60) HTR2AHTR6NFE2L2GRM5HTR1A
SCHEMBL2198404 0.84 HTR2A (0.60) HTR2AHTR6NFE2L2GRM5HTR1A
SCHEMBL2195845 0.81 HTR2A (0.56) HTR2AHTR6NFE2L2GRM5HTR1A
SCHEMBL18796178 0.79 HTR2A (0.54) HTR2AHTR6NFE2L2GRM5HTR2C
SCHEMBL4701358 0.78 ALDH1A1 (0.39) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4563072 0.77 HDAC1 (0.46) HTR2AHTR6NFE2L2HTR2CHTR2B
SCHEMBL10295090 0.76 HTR6 (0.52) HTR2AHTR6GRM5HTR1ADRD2
SCHEMBL19327036 0.75 HTR6 (0.70) HTR2AHTR6GRM5HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120950-B1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2120950-B1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
EP-2120950-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008113818-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed
WO-2008113818-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2008-09-25 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 (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-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME HTR6, TPH1, HRH2 HTR2A 16/4885HTR6 1/4885NFE2L2 2262/4885

“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.