SCHEMBL4944472

SCHEMBL4944472

CON(C)C(=O)c1sccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
RAB9A P51151 2/20 0.52
APP P05067 2/20 0.49
ALDH1A1 P00352 4/20 0.49
INPPL1 O15357 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4938255 0.83 MEN1 (0.64) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL2498156 0.82 KMT2A (0.66) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL4096759 0.81 L3MBTL1 (0.69) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL2290346 0.79 TRPM8 (0.55) KMT2AMEN1GAAAPPNPC1
SCHEMBL3678442 0.79 APP (0.47) L3MBTL1RAB9AAPPALDH1A1SMN1; SMN2
SCHEMBL31261650 0.79 MEN1 (0.59) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL3824969 0.79 MEN1 (0.59) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL30807979 0.78 APP (0.52) RAB9AAPPSMN1; SMN2KDM4ELMNA
SCHEMBL15266725 0.77 KMT2A (0.44) KMT2AMEN1GAAL3MBTL1RAB9A
SCHEMBL31261611 0.76 GAA (0.48) KMT2AMEN1GAAL3MBTL1RAB9A

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 15 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
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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO 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 KMT2A 3107/4885MEN1 4084/4885GAA 4826/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS KMT2A 1892/4885MEN1 2545/4885GAA 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.