SCHEMBL12416953

SCHEMBL12416953

Fc1ccc(Oc2ccccc2/C=N/c2ccc(I)cc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 2/20 0.45
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTT P42858 2/20 0.41
MAOB P27338 5/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTGS2 P35354 1/20 0.34
MAOA P21397 1/20 0.33

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
SCHEMBL12416936 0.78 GAA (0.45) LMNAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL12416954 0.78 MAOB (0.37) LMNAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL12416943 0.75 MAOB (0.62) ALDH1A1L3MBTL1KMT2AMAOBMAPT
SCHEMBL7921286 0.73 LMNA (0.61) LMNAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL20871094 0.65 MAOB (0.56) LMNAALDH1A1HPGDKMT2AHTT
SCHEMBL1584863 0.65 PARP10 (0.56) LMNAALDH1A1L3MBTL1KMT2AHTT
SCHEMBL1341446 0.65 GAA (0.62) LMNAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL4340327 0.65 HTR2A (0.54) LMNAHPGDKMT2AHTR2ASLC6A4
SCHEMBL5784796 0.65 LMNA (0.72) LMNAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL13860118 0.63 HSPB1 (0.42) LMNAHTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 LMNA 947/4885ALDH1A1 3768/4885L3MBTL1 2487/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 LMNA 947/4885ALDH1A1 3768/4885L3MBTL1 2487/4885

“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.