SCHEMBL5663169

SCHEMBL5663169

O=c1c(Br)c(SCc2ccccc2)ccn1Cc1ccccc1.O=c1cc(SCc2ccccc2)ccn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NCOA2 Q15596 2/20 0.40
▸ NCOA1 Q15788 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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 0.89 MAPK14 (0.55) MAPK14ALDH1A1HPGDNPSR1GAA
SCHEMBL4478552 0.86 MAPK14 (0.52) MAPK14ALDH1A1HPGDNPSR1LMNA
SCHEMBL6525377 0.79 ADORA2A (0.46) MAPK14ALDH1A1SMN1; SMN2ADORA2AMAOA
SCHEMBL4473242 0.73 MAPK14 (0.55) MAPK14ALDH1A1HPGDNPSR1GAA
SCHEMBL20936157 0.69 MAPK14 (0.58) MAPK14ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL4471534 0.67 ALDH1A1 (0.46) MAPK14ALDH1A1HPGDNPSR1GAA
SCHEMBL4474770 0.67 HPGD (0.48) MAPK14ALDH1A1HPGDNPSR1GAA
SCHEMBL6652303 0.67 MAPK14 (0.60) MAPK14ALDH1A1LMNAHTTKDM4E
SCHEMBL6652306 0.67 MAPK14 (0.60) MAPK14ALDH1A1HPGDHTTKDM4E
SCHEMBL4392960 0.67 MAPK14 (0.60) MAPK14ALDH1A1LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 — — US claimed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 — — 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 41/4885ALDH1A1 787/4885HPGD 282/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885ALDH1A1 1080/4885HPGD 245/4885

“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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