SCHEMBL4640722

SCHEMBL4640722

CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc(C(=O)O)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 4/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
CYP26A1 O43174 2/20 0.31
RARA P10276 2/20 0.31
CYP26B1 Q9NR63 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
SCHEMBL136801 0.96 MAPT (0.39) MAPTTHRBRECQLMEN1LMNA
SCHEMBL3867446 0.89 TDP1 (0.39) MAPTTHRBRECQLMEN1LMNA
SCHEMBL3868600 0.86 TDP1 (0.40) MAPTTHRBRECQLMEN1LMNA
SCHEMBL22664031 0.85 MEN1 (0.45) MAPTTHRBRECQLMEN1LMNA
SCHEMBL12160878 0.84 MEN1 (0.46) MAPTTHRBRECQLMEN1LMNA
SCHEMBL1714509 0.83 MAPT (0.40) MAPTTHRBRECQLMEN1LMNA
SCHEMBL19063420 0.83 MEN1 (0.40) MAPTTHRBRECQLMEN1LMNA
Iodide SCHEMBL1051835 0.83 MEN1 (0.46) MAPTTHRBRECQLMEN1LMNA
Iodide SCHEMBL2587637 0.83 MEN1 (0.48) MAPTTHRBRECQLMEN1LMNA
SCHEMBL3877735 0.83 TDP1 (0.42) MAPTTHRBRECQLMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211294-B1 Improved process and method for the preparation of asymmetric monofunctionalised indocyanine labelling reagents and obtained compounds VISEN MEDICAL INC (US) 2008-08-13 EP disclosed
US-20050245734-A1 Process and method for the preparation of asymetric monfunctionalised indocyanine labelling reagents and obtained compounds VISEN MEDICAL, INC. 2005-11-03 US disclosed
US-6740755-B2 REACTING FIRST QUATERNISED INDOLENINE WITH AN IMINE COMPOUND IN A SOLVENT SELECTED FROM ACETIC ACID, ACETIC ANHYDRIDE AND MIXTURES THEREOF, FURTHER REACTING INTERMEDIATE HEMICYANINE WITH QUATERNIZED INDOLINE VISEN MEDICAL, INC. 2004-05-25 US disclosed
EP-1211294-A1 Improved process and method for the preparation of asymmetric monofunctionalised indocyanine labelling reagents and obtained compounds Innosense S.r.l. (IT) 2002-06-05 EP disclosed
EP-1209205-A1 Improved process and method for the preparation of asymetric monofunctionalised indocyanine labelling reagents and obtained compounds Innosense S.r.l. (IT) 2002-05-29 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 (1 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-20050245734-A1 Process and method for the preparation of asymetric monfunctionalised indocyanine labelling reagents and obtained compounds IDO1, IDO2, AADAT MAPT 4620/4885THRB 3290/4885RECQL 1586/4885

“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.