SCHEMBL3909209

SCHEMBL3909209

O=S(=O)(c1cccc2ccccc12)c1cccc2sc(N3CCNCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.60
HTR2B P41595 5/20 0.50
HTR1A P08908 2/20 0.50
HTR7 P34969 1/20 0.50
DRD2 P14416 4/20 0.48
HTR2C P28335 4/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL4086449 0.89 HTR6 (0.56) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3909249 0.82 HTR6 (0.61) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3913015 0.81 HTR6 (0.63) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4083731 0.80 HTR6 (0.62) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3910449 0.75 HTR6 (1.00) HTR6
SCHEMBL5015059 0.75 SMN1; SMN2 (0.51) HTR6
Hydrochloric Acid SCHEMBL4088931 0.74 HTR6 (0.98) HTR6
SCHEMBL5015061 0.72 SMN1; SMN2 (0.51)
SCHEMBL20767920 0.72 SMN1; SMN2 (0.76)
SCHEMBL4590671 0.72 SMN1; SMN2 (0.74) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US claimed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 US claimed
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
EP-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP disclosed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 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-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR2B 13/4885HTR1A 4/4885

“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.