SCHEMBL13624634

SCHEMBL13624634

O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CCCC2O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.51
▸ BRD3 Q15059 1/20 0.41
▸ ACHE P22303 1/20 0.40

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
SCHEMBL4157194 0.86 HTR6 (0.56) HTR6
SCHEMBL13624636 0.72 TP53 (0.56) HTR6
SCHEMBL14142098 0.71 MEN1 (0.43) BRD3ACHE
SCHEMBL12093313 0.70 HTR6 (0.70) HTR6
SCHEMBL836107 0.68 HTR6 (1.00) HTR6
SCHEMBL10747917 0.67 HTR6 (0.66) HTR6
SCHEMBL8033752 0.67 HTR6 (0.61) HTR6
SCHEMBL16848484 0.66 ACHE (0.38) HTR6BRD3ACHE
SCHEMBL8021900 0.66 HTR6 (0.68) HTR6
SCHEMBL6517647 0.66 HTR6 (1.00) HTR6

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-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 — — US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 — — 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 HTR6 4552/4885BRD3 4059/4885ACHE 3889/4885

“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.

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