SCHEMBL60978

SCHEMBL60978

CCN(CC)c1cccc2nonc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
GAA P10253 3/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.57
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.38
KDM2B Q8NHM5 1/20 0.36
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
HPGD P15428 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
SCHEMBL28467081 0.79 GAA (0.58) ALDH1A1GAAMAPTLMNARECQL
SCHEMBL13990462 0.76 KMT2A (0.42) ALDH1A1GAAMAPTLMNARECQL
SCHEMBL62425 0.73 ALDH1A1 (0.43) ALDH1A1GAAMAPTLMNARECQL
SCHEMBL10533146 0.73 NQO2 (0.46) ALDH1A1GAAMAPTLMNAL3MBTL1
SCHEMBL13931972 0.73 GAA (0.56) ALDH1A1GAAMAPTLMNAL3MBTL1
SCHEMBL61465 0.72 ALDH1A1 (0.55) ALDH1A1GAAMAPTLMNARECQL
SCHEMBL762080 0.72 TP53 (0.47) ALDH1A1GAAMAPTRECQLL3MBTL1
SCHEMBL13931378 0.71 GAA (0.39) ALDH1A1GAAMAPTLMNARECQL
SCHEMBL20780688 0.69 MAPK1 (0.44) ALDH1A1GAAMAPTRECQLL3MBTL1
SCHEMBL28854550 0.69 ALDH1A1 (0.59) ALDH1A1GAAMAPTLMNARECQL

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 17 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
EP-2223971-B1 Long wavelength thiol-reactive fluorophores BECTON DICKINSON CO (US) 2011-11-09 EP 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
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP 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 ALDH1A1 1435/4885GAA 3381/4885MAPT 2743/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885GAA 3381/4885MAPT 2743/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885GAA 3381/4885MAPT 2743/4885

“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.