SCHEMBL2829310

SCHEMBL2829310

O=S(=O)(NCc1ccc(N2CCN(C3CCCC3)CC2)nc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KEAP1 Q14145 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MCOLN2 Q8IZK6 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MCOLN1 Q9GZU1 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL2825973 0.90 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1LMNAHSD17B10
SCHEMBL2828081 0.90 TP53 (0.46) ALDH1A1TSHRMAPK1LMNAHSD17B10
SCHEMBL2829705 0.88 POLB (0.52) ALDH1A1TSHRMAPK1LMNAKMT2A
SCHEMBL2825670 0.87 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AHRH3
SCHEMBL2825849 0.86 DRD2 (0.41) ALDH1A1TSHRMAPK1HRH3ACHE
SCHEMBL2827985 0.86 CYP1A2 (0.44) ALDH1A1TSHRMAPK1HRH3ACHE
SCHEMBL4170887 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1LMNAHSD17B10
SCHEMBL2831874 0.84 KDM4E (0.41) MEN1KMT2AHRH3ACHEKDM4E
SCHEMBL2827890 0.82 HRH3 (0.39) HSD17B10MEN1KMT2AHRH3ACHE
SCHEMBL2828748 0.81 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 ALDH1A1 586/4885TSHR 174/4885MAPK1 1153/4885

“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.