SCHEMBL13516901

SCHEMBL13516901

CN(C)C[CH]c1cccc(OC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ BCHE P06276 5/20 0.40
▸ ACHE P22303 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAOB P27338 6/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EPOR P19235 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL9903153 0.81 KMT2A (0.61) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL3821816 0.79 KMT2A (0.68) KMT2AMEN1ALDH1A1POLBMAOB
SCHEMBL7564693 0.74 LCK (0.47) KMT2AMEN1ACHEALDH1A1SMN1; SMN2
SCHEMBL28636011 0.73 KMT2A (0.58) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL28920273 0.71 MEN1 (0.66) KMT2AMEN1BCHEACHEALDH1A1
SCHEMBL9903546 0.71 PTGDR2 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15776394 0.71 KMT2A (0.59) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL3739838 0.70 KIF11 (0.49) KMT2AMEN1MAOB
SCHEMBL28632725 0.70 MEN1 (0.53) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL14783795 0.69 MEN1 (0.61) KMT2AMEN1ACHEALOX5

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-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC KMT2A 793/4885MEN1 1021/4885BCHE 4539/4885

“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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