SCHEMBL12417022

SCHEMBL12417022

CCOC(=O)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.60
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
TDP1 Q9NUW8 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
GAA P10253 2/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 13/20 0.49
POLB P06746 5/20 0.49
KDM4E B2RXH2 4/20 0.49
RECQL P46063 3/20 0.49
BLM P54132 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.47
PABPC1 P11940 1/20 0.47
HSP90AA1 P07900 2/20 0.47
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL12417055 0.84 ALDH1A1 (0.56) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12417045 0.84 ERN1 (0.61) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12416880 0.82 MAPT (0.75) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12417012 0.82 MAPT (0.51) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12417017 0.82 ALDH1A1 (0.55) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12416870 0.82 ALDH1A1 (0.55) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9135585 0.81 MAPT (0.48) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9135587 0.81 MAPT (0.48) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12417015 0.79 MAPT (0.57) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12754066 0.79 MAPT (0.53) MAPTMEN1KMT2ATDP1SMN1; SMN2

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 3 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-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

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 3638/4885MEN1 392/4885KMT2A 2278/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885MEN1 392/4885KMT2A 2278/4885

“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.