SCHEMBL18308852

SCHEMBL18308852

CN(C)c1ccc2c(-c3ccccc3COO)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ THRB P10828 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ P2RY6 Q15077 1/20 0.50
▸ ITPR1 Q14643 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABCB1 P08183 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SLC5A2 P31639 3/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL26213880 0.88 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13428244 0.82 MEN1 (0.75) MEN1BLMKMT2ATHRBRECQL
SCHEMBL21648601 0.81 MEN1 (0.73) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14399201 0.81 MEN1 (0.67) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL2054818 0.80 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13525202 0.80 MEN1 (1.00) MEN1BLMKMT2ATHRBRECQL
SCHEMBL18638481 0.79 MEN1 (0.67) MEN1BLMKMT2ATHRBRECQL
Rhodamine Ii SCHEMBL30320900 0.79 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
Rhodamine Ii SCHEMBL12310066 0.79 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13311416 0.79 MEN1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362418-A1 CARBOXAMIDE-SUBSTITUTED XANTHENE DYES AUDAX PRIVATE DEBT LLC, AS AGENT 2016-12-15 — — 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-20160362418-A1 CARBOXAMIDE-SUBSTITUTED XANTHENE DYES XDH, CYBA, CHAT MEN1 1588/4885BLM 3107/4885KMT2A 1504/4885

“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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