SCHEMBL12417028

SCHEMBL12417028

CCc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.59
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 6/20 0.59
POLB P06746 2/20 0.59
RECQL P46063 2/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 12/20 0.50
KMT2A Q03164 12/20 0.50
TDP1 Q9NUW8 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
ERN1 O75460 1/20 0.49
HTT P42858 5/20 0.48
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HSP90AA1 P07900 2/20 0.46
LMNA P02545 7/20 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
SCHEMBL12417021 0.89 MAPT (0.60) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12416895 0.85 MAPT (0.72) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12416898 0.84 MAPT (0.64) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12416899 0.83 MAPT (0.65) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12417088 0.83 MAPT (0.71) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12417001 0.83 MAPT (0.62) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12754065 0.82 MAPT (0.68) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12416906 0.81 MAPT (0.68) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12416896 0.80 MAPT (0.65) MAPTALDH1A1KDM4EPOLBRECQL
SCHEMBL12417017 0.80 ALDH1A1 (0.55) MAPTALDH1A1KDM4EPOLBRECQL

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ALDH1A1 3768/4885KDM4E 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.