SCHEMBL12417017

SCHEMBL12417017

CCc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.55
MAPT P10636 13/20 0.55
KDM4E B2RXH2 5/20 0.55
POLB P06746 4/20 0.55
RECQL P46063 3/20 0.55
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ERN1 O75460 1/20 0.51
MEN1 O00255 12/20 0.50
KMT2A Q03164 12/20 0.50
TDP1 Q9NUW8 6/20 0.50
HTT P42858 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HSP90AA1 P07900 3/20 0.50
THRB P10828 1/20 0.50
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
LMNA P02545 5/20 0.49

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
SCHEMBL12754066 0.92 MAPT (0.53) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417045 0.90 ERN1 (0.61) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12416870 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417015 0.85 MAPT (0.57) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417012 0.84 MAPT (0.51) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12416799 0.83 MAPT (0.55) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417026 0.83 MAPT (0.52) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417022 0.82 MAPT (0.60) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417020 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBRECQL
SCHEMBL12417013 0.81 APAF1 (0.72) ALDH1A1MAPTKDM4EPOLBRECQL

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 ALDH1A1 3768/4885MAPT 3638/4885KDM4E 3451/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885MAPT 3638/4885KDM4E 3451/4885

“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.