Sugi Predict

Sugi Predict / Compounds / SCHEMBL3276028

SCHEMBL3276028

SCHEMBL3276028

N#CCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ APP P05067 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP1 P03956 2/20 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
SCHEMBL3276037 1.00 EGFR (0.45) EGFRMAPTALDH1A1LTB4RLMNA
SCHEMBL3274789 0.81 APP (0.41) EGFRMAPTALDH1A1LTB4RCYSLTR1
SCHEMBL3274796 0.81 APP (0.41) EGFRMAPTALDH1A1LTB4RCYSLTR1
SCHEMBL3273292 0.78 MMP1 (0.59) EGFRMAPTHCAR2MAOBMAOA
SCHEMBL3273286 0.78 MMP1 (0.59) EGFRMAPTHCAR2MAOBMAOA
SCHEMBL3273494 0.78 EGFR (0.46) EGFRMAPTALDH1A1HCAR2MAOB
SCHEMBL3273489 0.78 EGFR (0.46) EGFRMAPTALDH1A1HCAR2MAOB
SCHEMBL3272873 0.77 EGFR (0.53) EGFRMAPTALDH1A1HCAR2MAOB
SCHEMBL3272868 0.77 EGFR (0.53) EGFRMAPTALDH1A1HCAR2MAOB
SCHEMBL3274049 0.76 TRPA1 (0.64) EGFRMAPTALDH1A1LTB4RHCAR2

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-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 — — US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 — — US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 — — US disclosed
EP-2121569-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-11-25 — — EP disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 — — WO disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 — — WO 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 (1 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-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 EGFR 2980/4885MAPT 1755/4885ALDH1A1 1865/4885

“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.