SCHEMBL17003723

SCHEMBL17003723

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ BLM P54132 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ P2RY6 Q15077 1/20 0.43
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ ITPR1 Q14643 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ACHE P22303 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
SCHEMBL17003732 0.89 MEN1 (0.52) MEN1KMT2ABLMTHRBRECQL
Trifluoroacetic Acid SCHEMBL17003722 0.85 MEN1 (0.64) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14013408 0.81 MEN1 (0.79) MEN1KMT2ABLMTHRBRECQL
Trifluoroacetic Acid SCHEMBL17003731 0.75 MEN1 (0.62) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14840738 0.73 MEN1 (0.68) MEN1KMT2ABLMTHRBRECQL
SCHEMBL27310366 0.72 MEN1 (0.66) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14013405 0.72 MEN1 (0.62) MEN1KMT2ABLMTHRBRECQL
SCHEMBL17124186 0.72 MEN1 (0.69) MEN1KMT2ABLMTHRBRECQL
SCHEMBL19878292 0.72 MEN1 (0.46) MEN1KMT2ABLMTHRBRECQL
SCHEMBL19878401 0.72 MEN1 (0.46) MEN1KMT2ABLMTHRBRECQL

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 4111/4885KMT2A 2532/4885BLM 4026/4885

“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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