SCHEMBL61593

SCHEMBL61593

CCN(CC)c1ccc2cc(/C=C/c3sc4ccccc4[n+]3CCO)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 7/20 0.53
HPGD P15428 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
INSR P06213 5/20 0.49
CYP19A1 P11511 2/20 0.46
MAOB P27338 3/20 0.46
ATM Q13315 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
USP2 O75604 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC16A3 O15427 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC16A1 P53985 1/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL18868148 0.93 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18868131 0.93 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL61619 0.92 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17151380 0.91 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18868143 0.90 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17151523 0.90 INSR (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18868132 0.89 MAPT (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18868138 0.89 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12396837 0.88 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18868145 0.88 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E

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 MAPT 2743/4885MEN1 4815/4885KMT2A 3702/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAPT 2743/4885MEN1 4815/4885KMT2A 3702/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAPT 2743/4885MEN1 4815/4885KMT2A 3702/4885

“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.