SCHEMBL4380048

SCHEMBL4380048

O=c1[nH]ccc(OCc2ccccc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NSD2 O96028 1/20 0.50
ABL1 P00519 1/20 0.50
PPARG P37231 1/20 0.50
RIN1 Q13671 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ELANE P08246 1/20 0.40
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IP6K1 Q92551 1/20 0.40

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
SCHEMBL4381782 0.84 MAPK14 (0.49) MAPK14HTR1APTPN1ALDH1A1
SCHEMBL4484727 0.81 L3MBTL1 (0.59) MAPK14L3MBTL1NSD2ABL1PPARG
SCHEMBL5256531 0.79 L3MBTL1 (0.49) MAPK14L3MBTL1NSD2ABL1PPARG
SCHEMBL945488 0.78 L3MBTL1 (0.50) MAPK14L3MBTL1NSD2ABL1PPARG
SCHEMBL6471436 0.76 L3MBTL1 (0.46) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL4485168 0.76 PTPN1 (0.47) PTPN1
SCHEMBL1994140 0.75 DRD2 (0.43) MAPK14L3MBTL1NSD2ABL1PPARG
SCHEMBL3371602 0.75 PARP1 (0.63) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL21953183 0.75 TDP1 (0.64) MAPK14L3MBTL1MAPTMAPK1TDP1
SCHEMBL3526207 0.74 IP6K1 (0.52) MAPK14L3MBTL1NSD2ABL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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 (4 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885L3MBTL1 3937/4885NSD2 4745/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885L3MBTL1 3898/4885NSD2 4591/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885L3MBTL1 3850/4885NSD2 4720/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885L3MBTL1 3437/4885NSD2 4422/4885

“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.