SCHEMBL12416895

SCHEMBL12416895

Cc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.72
ALDH1A1 P00352 12/20 0.72
MEN1 O00255 12/20 0.65
KMT2A Q03164 12/20 0.65
PLA2G1B P04054 1/20 0.65
ATG4B Q9Y4P1 1/20 0.65
KDM4E B2RXH2 6/20 0.62
POLB P06746 3/20 0.62
RECQL P46063 3/20 0.62
BLM P54132 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
THRB P10828 2/20 0.56
ALOX12 P18054 1/20 0.56
ERN1 O75460 1/20 0.52
HTT P42858 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL12416898 0.87 MAPT (0.64) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12416899 0.86 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12417088 0.86 MAPT (0.71) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12417001 0.86 MAPT (0.62) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12416896 0.85 MAPT (0.65) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12754065 0.85 MAPT (0.68) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12417028 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12416906 0.83 MAPT (0.68) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12417020 0.82 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2APLA2G1B
SCHEMBL12416990 0.82 MAPT (0.61) MAPTALDH1A1MEN1KMT2APLA2G1B

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 4 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
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 WO 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 3638/4885ALDH1A1 3768/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ALDH1A1 3768/4885MEN1 392/4885

“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.