SCHEMBL4938255

SCHEMBL4938255

CC(=O)c1sccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 4/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 5/20 0.56
INPPL1 O15357 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
PTPRC P08575 1/20 0.52
PTPN1 P18031 1/20 0.52
MAOB P27338 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
BRD4 O60885 1/20 0.51
CYP2C9 P11712 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 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
SCHEMBL4096759 0.89 L3MBTL1 (0.69) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL2498156 0.86 KMT2A (0.66) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL31261650 0.86 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL3824969 0.86 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL4944472 0.83 KMT2A (0.56) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL31261628 0.81 MEN1 (0.64) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL25983198 0.80 KMT2A (0.70) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL7848089 0.78 ALDH1A1 (0.72) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL23152503 0.78 KMT2A (0.62) MEN1KMT2AGAAL3MBTL1RAB9A
SCHEMBL4101815 0.77 MEN1 (0.58) MEN1KMT2AGAAL3MBTL1RAB9A

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 14 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
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 MEN1 4084/4885KMT2A 3107/4885GAA 4826/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS MEN1 2545/4885KMT2A 1892/4885GAA 1519/4885

“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.