SCHEMBL12416873

SCHEMBL12416873

CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
KMT2A Q03164 8/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 6/20 0.57
POLB P06746 5/20 0.57
LMNA P02545 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MCL1 Q07820 3/20 0.54
THRB P10828 2/20 0.54
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3605230 0.76 MAPT (0.62) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL8302616 0.74 MAPT (0.60) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL16080724 0.74 MAPT (0.55) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10725707 0.73 MAPT (1.00) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL12657762 0.71 MAPT (0.66) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL12416887 0.70 MEN1 (0.56) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL12416829 0.69 CA12 (0.53) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL12416886 0.69 MEN1 (0.48) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL18744894 0.67 MAPT (0.71) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL18744893 0.67 MEN1 (0.59) MAPTKMT2AALDH1A1MEN1POLB

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 3638/4885KMT2A 2278/4885ALDH1A1 3768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885KMT2A 2278/4885ALDH1A1 3768/4885

“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.