SCHEMBL12192021

SCHEMBL12192021

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ BLM P54132 2/20 0.74
▸ THRB P10828 1/20 0.74
▸ RECQL P46063 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ USP2 O75604 3/20 0.50
▸ APAF1 O14727 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ P2RY6 Q15077 1/20 0.49
▸ ACHE P22303 1/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ ITPR1 Q14643 1/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA14 Q9ULX7 1/20 0.37
▸ QPCT Q16769 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
SCHEMBL14533580 0.86 MEN1 (0.54) MEN1KMT2ABLMTHRBRECQL
SCHEMBL10082364 0.85 MEN1 (0.53) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14013408 0.85 MEN1 (0.79) MEN1KMT2ABLMTHRBRECQL
SCHEMBL13525202 0.85 MEN1 (1.00) MEN1KMT2ABLMTHRBRECQL
Hydrochloric Acid SCHEMBL16295013 0.84 MEN1 (0.98) MEN1KMT2ABLMTHRBRECQL
SCHEMBL574910 0.83 MEN1 (0.74) MEN1KMT2ABLMTHRBRECQL
Hydrochloric Acid SCHEMBL29371579 0.82 MEN1 (0.72) MEN1KMT2ABLMTHRBRECQL
SCHEMBL17124185 0.82 MEN1 (0.72) MEN1KMT2ABLMTHRBRECQL
Bromide SCHEMBL30740862 0.82 MEN1 (0.72) MEN1KMT2ABLMTHRBRECQL
SCHEMBL17124186 0.81 MEN1 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 — — US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — 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 (2 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-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 MEN1 606/4885KMT2A 3286/4885BLM 2621/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 MEN1 606/4885KMT2A 3286/4885BLM 2621/4885

“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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