SCHEMBL12416968

SCHEMBL12416968

COC(=O)c1cccc(/N=C/c2cc(Br)cc(OC)c2O)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ERN1 O75460 9/20 0.51
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
PTK6 Q13882 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL12416802 0.84 MAPT (0.74) MAPTERN1LMNAMEN1KMT2A
SCHEMBL12416835 0.82 MAPT (0.74) MAPTERN1LMNAMEN1KMT2A
SCHEMBL12416703 0.81 MAPT (0.70) MAPTERN1LMNAMEN1KMT2A
SCHEMBL12416734 0.81 MAPT (0.69) MAPTERN1LMNAMEN1KMT2A
SCHEMBL30342645 0.79 MAPT (0.53) MAPTLMNAMEN1KMT2APLA2G1B
SCHEMBL12416752 0.78 MAPT (1.00) MAPTERN1LMNAMEN1KMT2A
SCHEMBL30342727 0.77 MAPT (0.48) MAPTLMNAMEN1KMT2APLA2G1B
SCHEMBL12416750 0.76 ERN1 (0.68) MAPTERN1LMNAMEN1KMT2A
SCHEMBL12416727 0.76 MAPT (0.66) MAPTERN1LMNAMEN1KMT2A
SCHEMBL30342572 0.76 MAPT (0.49) MAPTLMNAMEN1KMT2APLA2G1B

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 MAPT 3638/4885ERN1 3328/4885LMNA 947/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ERN1 3328/4885LMNA 947/4885

“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.