SCHEMBL2825973

SCHEMBL2825973

O=S(=O)(NCc1ccc(N2CCN(C3CCCC3)CC2)nc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CYP19A1 P11511 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CXCR3 P49682 1/20 0.41
TSHR P16473 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL2828081 0.90 TP53 (0.46) ALDH1A1MAPK1POLBKDM2BCYP19A1
SCHEMBL2829310 0.90 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1POLB
SCHEMBL2824631 0.89 L3MBTL1 (0.48) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL2827985 0.84 CYP1A2 (0.44) ALDH1A1MAPK1L3MBTL1TSHRCHRM2
SCHEMBL2829705 0.82 POLB (0.52) ALDH1A1KMT2AMAPK1POLBKDM2B
SCHEMBL2824610 0.82 GAA (0.53) ALDH1A1KMT2AMEN1MAPK1POLB
SCHEMBL2831874 0.82 KDM4E (0.41) KMT2AMEN1CXCR3
SCHEMBL2827890 0.80 HRH3 (0.39) KMT2AMEN1POLBHSD17B10CXCR3
SCHEMBL2825849 0.80 DRD2 (0.41) ALDH1A1MAPK1KDM2BCXCR3TSHR
SCHEMBL2849356 0.79 SLC6A9 (0.40) ALDH1A1KMT2AMEN1POLBHSD17B10

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 586/4885KMT2A 164/4885MEN1 2620/4885

“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.