SCHEMBL4157194

SCHEMBL4157194

O=S(=O)(c1ccccc1)n1c2c(c3cc(Br)ccc31)CCCC2O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.56
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 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
SCHEMBL13624634 0.86 HTR6 (0.51) HTR6
SCHEMBL4300547 0.76 HTR6 (0.53) HTR6MEN1KMT2A
SCHEMBL1898801 0.75 HTR6 (0.58) HTR6MEN1KMT2A
SCHEMBL4170305 0.74 MEN1 (0.50) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL835021 0.72 HTR6 (1.00) HTR6
SCHEMBL8540570 0.71 HTR6 (0.55) HTR6
SCHEMBL3563869 0.69 HTR6 (0.50) HTR6
SCHEMBL24015624 0.68 HTR6 (0.52) HTR6
SCHEMBL12675369 0.68 SRC (0.54) HTR6MEN1KMT2A
SCHEMBL3562443 0.68 ACLY (0.50) 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 8 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
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 — — EP disclosed
EP-1817026-A2 HCV INHIBITORS SmithKline Beecham Corporation (US) 2007-08-15 — — EP disclosed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 — — US disclosed
WO-2006121466-A2 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-16 — — WO disclosed
EP-1658068-A1 NOVEL CYCLOALKYL'B! CONDENSED INDOLES SMITHKLINE BEECHAM CORPORATION (US) 2006-05-24 — — EP disclosed
WO-2005023245-A1 NOVEL CYCLOALKYL’B! CONDENSED INDOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-03-17 — — 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 (2 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 4552/4885HTR1A 4178/4885HTR2A 4132/4885
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles BCCIP, TP53, TOP2B HTR6 567/4885HTR1A 979/4885HTR2A 611/4885

“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.

Send feedback