SCHEMBL61009

SCHEMBL61009

C=C(I)OOCC[n+]1c(/C=C/c2ccc(N(CC)CC)c3nonc23)sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 15/20 0.42
APP P05067 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTNNB1 P35222 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MMP14 P50281 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
OPRK1 P41145 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
SCHEMBL13218912 0.88 INSR (0.44) INSRAPPMEN1KMT2AMAPT
SCHEMBL62493 0.85 INSR (0.49) INSRAPPMEN1KMT2AMAPT
SCHEMBL62618 0.84 INSR (0.52) INSRAPPMEN1KMT2AMAPT
SCHEMBL62438 0.83 INSR (0.42) INSRAPPMEN1KMT2AMAPT
SCHEMBL13232760 0.83 INSR (0.43) INSRAPPMEN1KMT2AMAPT
SCHEMBL60940 0.83 INSR (0.49) INSRAPPMEN1KMT2AMAPT
SCHEMBL61558 0.82 INSR (0.42) INSRAPPMEN1KMT2AMAPT
SCHEMBL61398 0.78 INSR (0.42) INSRAPPMEN1KMT2AMAPT
SCHEMBL61426 0.76 INSR (0.43) INSRAPPMEN1KMT2AMAPT
SCHEMBL62459 0.72 INSR (0.47) INSRAPPMEN1KMT2AMAPT

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 7 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-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-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-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

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 INSR 4540/4885APP 4640/4885MEN1 4815/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885APP 4640/4885MEN1 4815/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885APP 4640/4885MEN1 4815/4885

“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.