SCHEMBL4938231

SCHEMBL4938231

COc1ccc(COc2ccccc2C(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ABCB1 P08183 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
RXRA P19793 1/20 0.52
PARP1 P09874 1/20 0.52
SGMS2 Q8NHU3 1/20 0.51
MAOB P27338 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL31658724 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL1388037 0.88 RXRA (0.60) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL8983017 0.87 HTR1A (0.48) SMN1; SMN2LMNAMAPTPOLBKDM4E
SCHEMBL30849274 0.87 PARP1 (0.71) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL21443892 0.87 ABCB1 (0.52) SMN1; SMN2LMNAMAPTPOLBKDM4E
SCHEMBL8277221 0.86 GAA (0.62) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL30468871 0.85 SGMS2 (0.67) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL71081 0.85 SGMS2 (0.67) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL13044291 0.85 SGMS2 (0.55) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL5628637 0.85 NPC1 (0.48) SMN1; SMN2LMNAMAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
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
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-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US 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
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

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 SMN1; SMN2 4372/4885LMNA 4793/4885MAPT 4707/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SMN1; SMN2 3547/4885LMNA 2165/4885MAPT 4395/4885

“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.