SCHEMBL62448

SCHEMBL62448

CN(CCO)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
NPC1 O15118 1/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 1/20 0.69
SCP2 P22307 1/20 0.47
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
PRKDC P78527 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
TNKS O95271 1/20 0.41
GPR84 Q9NQS5 10/20 0.39
CFTR P13569 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL23373810 0.86 MEN1 (0.66) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL8858355 0.85 NPC1 (0.76) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13182571 0.84 MEN1 (0.60) MEN1KMT2ANPC1POLBRAB9A
Nile Red SCHEMBL28703996 0.83 MEN1 (0.93) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL62437 0.83 MEN1 (0.59) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13201657 0.83 MEN1 (0.58) MEN1KMT2ANPC1POLBRAB9A
Nile Red SCHEMBL29373685 0.82 MEN1 (1.00) MEN1KMT2ANPC1POLBRAB9A
Nile Red SCHEMBL49047 0.82 MEN1 (1.00) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL31722939 0.79 NPC1 (0.74) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL14986327 0.79 NPC1 (0.74) MEN1KMT2ANPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885KMT2A 3702/4885NPC1 2664/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885KMT2A 3702/4885NPC1 2664/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885KMT2A 3702/4885NPC1 2664/4885

“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.