SCHEMBL4387426

SCHEMBL4387426

Cc1cc(O)c(Br)c(=O)n1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
POLB P06746 2/20 0.37
GRIA2 P42262 2/20 0.36
GRIN2A Q12879 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 4/20 0.35
PDE1A P54750 3/20 0.34
PDE1B Q01064 3/20 0.34
PDE1C Q14123 3/20 0.34
BRD4 O60885 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CNR1 P21554 2/20 0.33
TP53 P04637 1/20 0.33
GRM2 Q14416 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL19301648 0.72 NOTUM (0.41) NOTUMGRIA2GRIN2AALDH1A1MEN1
SCHEMBL19301650 0.71 NOTUM (0.46) NOTUMGRIA2GRIN2AALDH1A1MEN1
SCHEMBL4382351 0.71 ALDH1A1 (0.50) NOTUMPOLBALDH1A1MEN1KMT2A
SCHEMBL4376097 0.70 TLR7 (0.40) POLBPDE1BPDE1C
SCHEMBL4387870 0.69 MEN1 (0.51) POLBALDH1A1MEN1KMT2ABRD4
SCHEMBL17434511 0.68 NOTUM (0.50) NOTUMPOLBGRIA2GRIN2AALDH1A1
SCHEMBL4379494 0.66 KDM4E (0.58) ALDH1A1PDE1APDE1BPDE1CLMNA
SCHEMBL4375968 0.66 NOX4 (0.46) ALDH1A1MEN1CYP3A4KMT2ABRD4
SCHEMBL4377989 0.65 SRC (0.51) ALDH1A1MEN1CYP3A4KMT2ABRD4
SCHEMBL19301719 0.64 NOTUM (0.41) NOTUMGRIA2GRIN2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 NOTUM 3993/4885POLB 1610/4885GRIA2 1803/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NOTUM 4121/4885POLB 1676/4885GRIA2 2046/4885

“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.