SCHEMBL4475995

SCHEMBL4475995

O=C(CCn1ccc(OCc2ccccc2)c(Br)c1=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
FKBP1A P62942 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APP P05067 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41

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
Hydrochloric Acid SCHEMBL4473514 0.87 MAPK14 (0.56) MAPK14SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4476713 0.85 MAPK14 (0.64) MAPK14SMN1; SMN2KMT2AALDH1A1EGFR
SCHEMBL3524712 0.83 NPSR1 (0.50) FKBP1ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4473993 0.82 MAPK14 (0.70) MAPK14
SCHEMBL4477627 0.80 MAPK14 (0.67) MAPK14LMNA
SCHEMBL4385111 0.78 MAPK14 (0.64) MAPK14L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL4389963 0.77 MAPK14 (0.61) MAPK14MEN1KMT2AALDH1A1KDM4E
SCHEMBL4392608 0.76 HSD17B10 (0.55) MAPK14SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5861929 0.75 MAPK14 (0.73) MAPK14KMT2A
SCHEMBL4470415 0.73 MAPK14 (1.00) MAPK14SMN1; SMN2MEN1KMT2ANPSR1

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-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
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 MAPK14 41/4885FKBP1A 2119/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885FKBP1A 2405/4885SMN1; SMN2 1419/4885

“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.