SCHEMBL17003732

SCHEMBL17003732

CN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3)c3ccc(=[N+](C)COC(=O)C(F)(F)F)cc-3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ P2RY6 Q15077 1/20 0.43
▸ ITPR1 Q14643 1/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ USP2 O75604 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL17003723 0.89 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL
Trifluoroacetic Acid SCHEMBL17003731 0.87 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL17124185 0.83 MEN1 (0.72) MEN1BLMKMT2ATHRBRECQL
Trifluoroacetic Acid SCHEMBL17003722 0.76 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL17012725 0.74 MEN1 (0.53) MEN1BLMKMT2ATHRBRECQL
SCHEMBL18680528 0.74 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL21878574 0.73 P2RY6 (0.65) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12418857 0.73 MEN1 (0.59) MEN1BLMKMT2ATHRBRECQL
Acetic Acid SCHEMBL17003739 0.71 MEN1 (0.65) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14840738 0.71 MEN1 (0.68) MEN1BLMKMT2ATHRBRECQL

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-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-01 — — US disclosed
EP-2907877-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION Japan Science and Technology Agency (JP) 2015-08-19 — — EP 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-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION ACAT1, ACAT2, ACAA2 MEN1 4111/4885BLM 4026/4885KMT2A 2532/4885

“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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