SCHEMBL1300262

SCHEMBL1300262

O=C(NCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
ESRRG P62508 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL21820359 0.92 RAB9A (0.46) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL28255183 0.91 TSHR (0.54) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL17481130 0.90 HDAC2 (0.49) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL19051491 0.87 RAB9A (0.55) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL10248027 0.87 HPGDS (0.54) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL13211909 0.86 NPC1 (0.56) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL1299965 0.86 KMT2A (0.47) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12459934 0.86 ESRRG (0.49) MAPTRAB9ANPC1SMN1; SMN2ESRRG
SCHEMBL1300384 0.86 NPC1 (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL18381247 0.85 KMT2A (0.60) MAPTRAB9ANPC1KMT2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003395-B2 Non-signal imidazole reagents for mass spectrometry analysis of phosphomonoesters TRACE BIO ANALYTICS, LLC (US) 2011-08-23 US claimed
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. 2009-08-27 US claimed
WO-2007002135-A9 NON-SIGNAL IMIDAZOLE REAGENTS FOR MASS SPECTROMETRY ANALYSIS OF PHOSPHOMONOESTERS TRACE BIO ANALYTICS LLC (US) 2007-04-05 WO claimed
WO-2007002135-A2 NON-SIGNAL IMIDAZOLE REAGENTS FOR MASS SPECTROMETRY ANALYSIS OF PHOSPHOMONOESTERS TRACE BIO ANALYTICS, LLC (US) 2007-01-04 WO claimed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-20110269968-A1 Non-Signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. (US) 2011-11-03 US disclosed
US-20110269968-A1 Non-Signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. (US) 2011-11-03 US disclosed
US-8003395-B2 Non-signal imidazole reagents for mass spectrometry analysis of phosphomonoesters TRACE BIO ANALYTICS, LLC (US) 2011-08-23 US disclosed
US-8003395-B2 Non-signal imidazole reagents for mass spectrometry analysis of phosphomonoesters TRACE BIO ANALYTICS, LLC (US) 2011-08-23 US disclosed
US-20100255607-A1 AFFINITY CONTROL OF TAGGING NOISE NORTHEASTERN UNIVERSITY 2010-10-07 US disclosed
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. 2009-08-27 US disclosed
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. 2009-08-27 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 MAPT 458/4885RAB9A 3071/4885NPC1 2556/4885
US-20110269968-A1 Non-Signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters PPIP5K2, PHPT1, IP6K3 MAPT 3122/4885RAB9A 3998/4885NPC1 4772/4885
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters PPIP5K2, PHPT1, IP6K3 MAPT 3088/4885RAB9A 3996/4885NPC1 4779/4885

“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.