SCHEMBL6779077

SCHEMBL6779077

COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 3/20 0.70
LMNA P02545 3/20 0.67
PYGL P06737 1/20 0.63
PKM P14618 1/20 0.62
HTT P42858 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
SETD7 Q8WTS6 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL5834652 0.86 KMT2A (0.70) KMT2AMEN1LMNAPYGLSMN1; SMN2
SCHEMBL24233277 0.85 SMN1; SMN2 (0.70) KMT2AMEN1PYGLHTTSMN1; SMN2
SCHEMBL31103641 0.83 MEN1 (0.76) KMT2AMEN1SMN1; SMN2IRAK4NPC1
SCHEMBL1572442 0.83 MEN1 (0.76) KMT2AMEN1SMN1; SMN2IRAK4NPC1
SCHEMBL30205486 0.83 ALOX5 (0.69) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL28012109 0.82 KMT2A (0.68) KMT2AMEN1SMN1; SMN2NPC1RAB9A
Fluoride SCHEMBL28307367 0.82 MEN1 (0.74) KMT2AMEN1SMN1; SMN2IRAK4NPC1
Methane SCHEMBL28043489 0.82 MEN1 (0.74) KMT2AMEN1SMN1; SMN2IRAK4NPC1
Ammonia Solution, Strong SCHEMBL27704150 0.82 MEN1 (0.74) KMT2AMEN1SMN1; SMN2IRAK4NPC1
SCHEMBL27858189 0.82 MEN1 (0.74) KMT2AMEN1SMN1; SMN2IRAK4NPC1

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-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 KMT2A 1440/4885MEN1 4612/4885LMNA 4203/4885

“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.