SCHEMBL12418857

SCHEMBL12418857

CN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ P2RY6 Q15077 1/20 0.56
▸ CA12 O43570 3/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA14 Q9ULX7 1/20 0.45
▸ ITPR1 Q14643 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GBA1 P04062 2/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ USP2 O75604 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ APAF1 O14727 1/20 0.40

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
SCHEMBL21878574 0.93 P2RY6 (0.65) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12307301 0.86 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL10293759 0.86 P2RY6 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL22204520 0.86 P2RY6 (0.69) MEN1BLMKMT2ATHRBRECQL
SCHEMBL31756958 0.86 P2RY6 (0.69) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14013405 0.85 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL2054818 0.85 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12716296 0.85 P2RY6 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14176750 0.84 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL17124185 0.84 MEN1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE Life Technologies Corporation (US) 2011-07-14 — — US disclosed
US-20100081203-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE Life Technologies Corporation (US) 2010-04-01 — — US disclosed
US-20090017546-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-01-15 — — 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 (3 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-20090017546-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 MEN1 3128/4885BLM 4340/4885KMT2A 3021/4885
US-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 MEN1 3128/4885BLM 4340/4885KMT2A 3021/4885
US-20100081203-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 MEN1 3128/4885BLM 4340/4885KMT2A 3021/4885

“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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