SCHEMBL7313610

SCHEMBL7313610

NCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.62
HTR1A P08908 3/20 0.48
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
HTR1F P30939 3/20 0.48
HTR7 P34969 3/20 0.48
DRD3 P35462 3/20 0.48
DRD2 P14416 2/20 0.46
HTR1E P28566 1/20 0.46

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
Hydrochloric Acid SCHEMBL7320940 0.89 HTR6 (0.70) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL7319385 0.83 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3029775 0.81 PPARG (0.62) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7436342 0.81 HTR6 (0.73) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7314748 0.80 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL7314759 0.79 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL7436726 0.79 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F
Oxalic Acid SCHEMBL7433702 0.78 HTR6 (0.90) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL7316956 0.78 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL7318955 0.78 HTR6 (0.61) HTR6HTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 HTR6 4503/4885HTR1A 4812/4885HTR1D 4756/4885

“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.