SCHEMBL4946009

SCHEMBL4946009

CC(=O)c1c(OCc2ccccc2)cccc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
CA9 Q16790 1/20 0.50
FOLH1 Q04609 1/20 0.50
BRD4 O60885 1/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 4/20 0.44
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
SGMS2 Q8NHU3 1/20 0.44
C5AR1 P21730 1/20 0.43

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
SCHEMBL4520573 0.87 MAOB (0.49) MAOBTDP1SMN1; SMN2PTGER1
SCHEMBL4947232 0.87 MAOB (0.61) MAOBCA9FOLH1BRD4MAPT
SCHEMBL7405753 0.83 PDE4B (0.47) CA9L3MBTL1SMN1; SMN2
SCHEMBL6451155 0.81 RXRA (0.57) MAOBCA9FOLH1BRD4MAPT
SCHEMBL4516687 0.80 MAOB (0.55) MAOBCA9
SCHEMBL13936012 0.80 NFKB1 (0.45) MAOBBRD4MEN1ALDH1A1KMT2A
SCHEMBL23259231 0.80 HTR1A (0.47) MAPTTDP1L3MBTL1MAPK1MEN1
SCHEMBL30892463 0.79 MAOB (0.76) MAOBCA9FOLH1BRD4MAPT
SCHEMBL1728168 0.79 MAOB (0.76) MAOBCA9FOLH1BRD4MAPT
SCHEMBL7019839 0.76 CCNB2 (0.43) MAPTTDP1L3MBTL1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 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 (2 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 MAOB 3448/4885CA9 545/4885FOLH1 4792/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS MAOB 340/4885CA9 1673/4885FOLH1 4262/4885

“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.