SCHEMBL4471534

SCHEMBL4471534

O=c1c(Br)c(SCc2ccccc2)c(Br)cn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ NCOA2 Q15596 2/20 0.46
▸ NCOA1 Q15788 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ P2RX7 Q99572 3/20 0.40
▸ PLA2G7 Q13093 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39

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
SCHEMBL4382678 0.75 MAPK14 (0.55) ALDH1A1LMNAHTTHPGDNPSR1
SCHEMBL3519801 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHTTHPGDNPSR1
SCHEMBL5288438 0.72 MAPK14 (0.48) ALDH1A1HTTHPGDMAPK14P2RX7
SCHEMBL15815917 0.72 ALDH1A1 (0.55) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL4473137 0.71 MAPK14 (0.60) ALDH1A1HTTHPGDNPSR1SMN1; SMN2
Ethane SCHEMBL13370815 0.70 ALDH1A1 (0.51) ALDH1A1LMNAHPGDNPSR1MAPT
SCHEMBL15816469 0.69 ADRA1D (0.51) ALDH1A1LMNAHTTHPGDMAPT
SCHEMBL5812520 0.68 L3MBTL1 (0.52) MAPK14P2RX7MEN1KMT2AL3MBTL1
SCHEMBL6235800 0.68 ADRA1D (0.48) ALDH1A1LMNAHTTMAPTPKM
SCHEMBL22554148 0.68 P2RX7 (0.45) LMNAHTTHPGDSMN1; SMN2KDM4E

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 ALDH1A1 787/4885LMNA 1815/4885HTT 4654/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885LMNA 1884/4885HTT 4506/4885

“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.

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