SCHEMBL10137902

SCHEMBL10137902

CN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.55
INSR P06213 1/20 0.53
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TLR9 Q9NR96 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 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
SCHEMBL1405711 0.85 PTGS2 (0.56) INSRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1405705 0.85 PTGS2 (0.56) INSRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL531104 0.82 MAPT (0.66) APPINSRMAPTLMNAALDH1A1
SCHEMBL16141098 0.82 MAPT (0.66) APPINSRMAPTLMNAALDH1A1
SCHEMBL531105 0.82 MAPT (0.66) APPINSRMAPTLMNAALDH1A1
SCHEMBL8862645 0.77 CYP19A1 (0.71) APPINSRMAPTLMNAALDH1A1
SCHEMBL8862647 0.77 CYP19A1 (0.71) APPINSRMAPTLMNAALDH1A1
SCHEMBL8061150 0.76 APP (0.70) APPINSRMAPTLMNAALDH1A1
SCHEMBL10137905 0.76 PTGS2 (0.54) APPINSRMAPTLMNAALDH1A1
SCHEMBL6492845 0.75 INSR (0.47) APPINSRMAPTLMNAALDH1A1

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
EP-1781675-B1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES INC (US) 2014-03-26 EP disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 APP 3544/4885INSR 3064/4885MAPT 1477/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 APP 3601/4885INSR 3351/4885MAPT 1921/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 APP 3544/4885INSR 3064/4885MAPT 1477/4885

“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.