SCHEMBL4474770

SCHEMBL4474770

Cc1cn(Cc2ccccc2)c(=O)cc1SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NCOA2 Q15596 2/20 0.44
▸ NCOA1 Q15788 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ BRD4 O60885 5/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ BRDT Q58F21 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL28486486 0.76 HPGD (0.53) HPGDHTTKDM4ESMN1; SMN2BRD4
SCHEMBL16475225 0.73 HPGD (0.49) HPGDBRD4BRD2BRD3BRDT
SCHEMBL4473242 0.72 MAPK14 (0.55) HPGDGAAALDH1A1LMNAPPARG
SCHEMBL4478552 0.72 MAPK14 (0.52) HPGDALDH1A1LMNAPPARGHTT
SCHEMBL3518913 0.70 ABL1 (0.51) HPGDGAAALDH1A1LMNANPSR1
SCHEMBL266595 0.68 BRD4 (0.56) HPGDGAAALDH1A1LMNAHTT
SCHEMBL10017252 0.68 MAPK14 (0.51) HPGDALDH1A1HTTNPSR1MAPT
SCHEMBL7822161 0.68 L3MBTL1 (0.56) HPGDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1346298 0.67 MAPK14 (0.58) HPGDALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL28495369 0.67 HPGD (0.57) HPGDALDH1A1LMNAHTTKDM4E

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 HPGD 282/4885GAA 2281/4885ALDH1A1 787/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 HPGD 169/4885GAA 2368/4885ALDH1A1 741/4885

“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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