SCHEMBL442811

SCHEMBL442811

Cl[C]1COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
AHR P35869 3/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAOB P27338 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MAOA P21397 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.35
TRPA1 O75762 1/20 0.34
OXTR P30559 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13950594 0.76 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL6269163 0.73 LMNA (0.66) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL29966720 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL1038843 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL2422652 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL438269 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL279547 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL5010225 0.71 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL7295118 0.70 MAOA (0.50) ABCG2ITGB2ICAM1ITGALAHR
SCHEMBL8674765 0.69 ITGB2 (0.82) ABCG2ITGB2ICAM1ITGALAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492431-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2013-07-23 US claimed
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L (US) 2012-03-15 US claimed

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-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR ABCG2 1615/4885ITGB2 4493/4885ICAM1 2653/4885

“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.