SCHEMBL2829341

SCHEMBL2829341

COc1cccc(NC(=O)Nc2ccc(N3CCN(C(C)C)CC3)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 5/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
DGAT1 O75907 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
CDK8 P49336 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL2831832 0.87 DRD2 (0.54) SMN1; SMN2KDM4EMAPTDGAT1HRH3
SCHEMBL2825988 0.87 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTMAPK1KDM4E
SCHEMBL2826663 0.86 PTPN11 (0.54) SMN1; SMN2LMNAHTTKDM4EALDH1A1
SCHEMBL2829336 0.85 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTMAPK1KDM4E
SCHEMBL2829625 0.81 HRH3 (0.54) SMN1; SMN2KDM4EALDH1A1MAPTTP53
SCHEMBL2829603 0.79 L3MBTL1 (0.54) HTTKDM4EMAPTPOLBTP53
SCHEMBL2832601 0.78 RAB9A (0.50) SMN1; SMN2LMNAHTTMAPK1KDM4E
SCHEMBL5455745 0.76 DGAT1 (0.54) SMN1; SMN2LMNAHTTMAPK1KDM4E
Cyclohexane SCHEMBL2828762 0.76 L3MBTL1 (0.52) SMN1; SMN2KDM4EALDH1A1MAPTHRH3
SCHEMBL2829567 0.76 NAMPT (0.47) SMN1; SMN2MAPK1KDM4EALDH1A1MAPT

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 SMN1; SMN2 3716/4885LMNA 2655/4885HTT 831/4885

“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.