SCHEMBL6778233

SCHEMBL6778233

O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccnc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ KCNA5 P22460 2/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL6778426 0.83 KMT2A (0.48) HTTKCNA5KMT2AGPBAR1ALDH1A1
SCHEMBL6780637 0.83 LMNA (0.46) HTTKCNA5KMT2ALMNAPDCD1
SCHEMBL6780567 0.82 GPBAR1 (0.49) HTTKCNA5KMT2AGPBAR1POLB
SCHEMBL6777732 0.81 LPAR1 (0.52) HTTKCNA5KMT2APOLBALDH1A1
SCHEMBL6774110 0.80 SGMS2 (0.50) HTTKCNA5KMT2APOLBPDCD1
SCHEMBL6780767 0.79 ALDH1A1 (0.46) HTTKCNA5KMT2AGPBAR1THRB
SCHEMBL7673590 0.78 ALDH1A1 (0.46) HTTKCNA5KMT2AGPBAR1ALDH1A1
SCHEMBL10686818 0.77 HTT (0.60) HTTKCNA5KMT2ATHRBPOLB
SCHEMBL6774316 0.77 ALDH1A1 (0.51) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL6779730 0.77 GPBAR1 (0.44) HTTKCNA5KMT2AGPBAR1POLB

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 HTT 2758/4885KCNA5 3796/4885KMT2A 1440/4885

“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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