SCHEMBL61013

SCHEMBL61013

CN(CCO)c1ccc(C=O)c2nonc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
ALDH1A1 P00352 10/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GAA P10253 3/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28467013 0.80 GAA (0.53) MAPTALDH1A1LMNAGAARECQL
SCHEMBL61465 0.77 ALDH1A1 (0.55) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL61983 0.76 MEN1 (0.35) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL62425 0.75 ALDH1A1 (0.43) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL14521051 0.72 MEN1 (0.43) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL12721262 0.68 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24517911 0.66 GAA (0.35) MAPTALDH1A1LMNAGAARECQL
SCHEMBL24991908 0.66 EGFR (0.44) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL3502960 0.64 TDP1 (0.41) MAPTALDH1A1LMNAHPGDTLR9
SCHEMBL24991896 0.64 CYBB (0.39) MAPTALDH1A1PKMGAAKDM4E

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-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 MAPT 2743/4885ALDH1A1 1435/4885LMNA 1772/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAPT 2743/4885ALDH1A1 1435/4885LMNA 1772/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAPT 2743/4885ALDH1A1 1435/4885LMNA 1772/4885

“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.