SCHEMBL2825670

SCHEMBL2825670

O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
RORC P51449 1/20 0.41
POLB P06746 1/20 0.41
SMO Q99835 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HDAC1 Q13547 1/20 0.39
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL2824631 0.91 L3MBTL1 (0.48) ALDH1A1HRH3DRD2KDM4ELMNA
SCHEMBL2831874 0.88 KDM4E (0.41) ACHEHRH3SMOKDM4EHDAC1
SCHEMBL2829310 0.87 ALDH1A1 (0.51) ALDH1A1ACHEHRH3POLBKDM4E
SCHEMBL2849356 0.85 SLC6A9 (0.40) ALDH1A1HRH3POLBKDM4ECXCR3
SCHEMBL2827529 0.82 KDM4E (0.50) ALDH1A1MAPTHRH3RORCSMO
SCHEMBL2827890 0.82 HRH3 (0.39) ACHEHRH3POLBKDM4EHDAC1
SCHEMBL2827985 0.82 CYP1A2 (0.44) ALDH1A1ACHEHRH3
SCHEMBL2825849 0.82 DRD2 (0.41) ALDH1A1ACHEHRH3DRD2ADRA1D
SCHEMBL2827886 0.80 HRH3 (0.53) ALDH1A1ACHEHRH3SMOKDM4E
SCHEMBL2825973 0.79 ALDH1A1 (0.48) ALDH1A1MAPTPOLBLMNACXCR3

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 9 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
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
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 586/4885MAPT 2111/4885ACHE 1294/4885

“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.