SCHEMBL6774316

SCHEMBL6774316

O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ LTB4R2 Q9NPC1 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ SNCA P37840 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL6780637 0.89 LMNA (0.46) ALDH1A1LMNATP53HTTGAA
SCHEMBL6781601 0.84 TP53 (0.64) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL6785514 0.82 LTB4R2 (0.46) ALDH1A1SMN1; SMN2LTB4R2PDK1MAPKAPK2
SCHEMBL6777578 0.80 ALDH1A1 (0.54) ALDH1A1LMNATP53SNCAMAPKAPK2
SCHEMBL6775891 0.79 PDK1 (0.47) ALDH1A1SMN1; SMN2GAALTB4R2MAPT
SCHEMBL6783999 0.77 PTGER1 (0.47) HTTLTB4R2PDK1
SCHEMBL6778429 0.77 MAPT (0.50) ALDH1A1LMNALTB4R2MAPTPDK1
SCHEMBL6778233 0.77 HTT (0.51) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL6773913 0.76 LTB4R2 (0.41) ALDH1A1LTB4R2PDK1MAPKAPK2
SCHEMBL6775116 0.75 MAPKAPK2 (0.41) GAALTB4R2PDK1MAPKAPK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US claimed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — US claimed
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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 (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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT ALDH1A1 646/4885LMNA 4203/4885TP53 4800/4885

“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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