SCHEMBL2829705

SCHEMBL2829705

O=S(=O)(NCc1ccc(N2CCN(C3CCCC3)CC2)nc1)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.41
AKT1 P31749 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
CXCR3 P49682 1/20 0.39
PKM P14618 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
SCHEMBL2828081 0.88 TP53 (0.46) POLBLMNAHRH3KDM2BALDH1A1
SCHEMBL2829310 0.88 ALDH1A1 (0.51) POLBKMT2ALMNAHRH3ALDH1A1
SCHEMBL2827369 0.83 POLB (0.58) POLBKMT2ALMNAAKT1ALDH1A1
SCHEMBL2825849 0.83 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BAKT1
SCHEMBL2825973 0.82 ALDH1A1 (0.48) POLBKMT2ALMNAKDM2BALDH1A1
Hydrochloric Acid SCHEMBL3972946 0.80 MAPT (0.49) POLBDRD2ADRA1DADRA1AADRA1B
SCHEMBL2827985 0.79 CYP1A2 (0.44) HRH3ALDH1A1TSHRMAPK1TP53
SCHEMBL2831874 0.79 KDM4E (0.41) KMT2AHRH3CXCR3
SCHEMBL2825670 0.78 ALDH1A1 (0.45) POLBKMT2ADRD2ADRA1DADRA1A
SCHEMBL2827890 0.77 HRH3 (0.39) POLBKMT2AHRH3CXCR3

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 POLB 3002/4885KMT2A 164/4885DRD2 349/4885

“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.