SCHEMBL4470797

SCHEMBL4470797

C=CCN(NC(=O)c1ccc(=O)n(Cc2ccccc2)c1)C(N)=S

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
KDM4E B2RXH2 1/20 0.59
BRD4 O60885 3/20 0.55
BRD2 P25440 1/20 0.55
BRD3 Q15059 1/20 0.55
BRDT Q58F21 1/20 0.55
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.41
MAPK8 P45983 1/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3192478 0.79 BRD4 (0.55) KDM4EBRD4BRD2BRD3BRDT
SCHEMBL4470800 0.74 GAA (1.00) GAAKDM4EBRD4BRD2BRD3
SCHEMBL11324370 0.73 BRD4 (0.67) GAAKDM4EBRD4BRD2BRD3
SCHEMBL3522224 0.71 ALDH1A1 (0.34) GAAKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL1617368 0.70 BRD4 (0.70) GAAKDM4EBRD4BRD2BRD3
SCHEMBL13702152 0.69 BRD4 (0.73) GAAKDM4EBRD4BRD2BRD3
SCHEMBL13701754 0.69 BRD4 (0.73) GAAKDM4EBRD4BRD2BRD3
SCHEMBL6199097 0.69 BRD4 (0.68) GAAKDM4EBRD4BRD2BRD3
SCHEMBL12734333 0.67 BRD4 (0.71) GAAKDM4EBRD4BRD2BRD3
SCHEMBL11316074 0.67 BRD4 (0.70) GAAKDM4EBRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US 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 GAA 2281/4885KDM4E 3869/4885BRD4 2724/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 GAA 2368/4885KDM4E 3921/4885BRD4 2431/4885

“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.