SCHEMBL16296991

SCHEMBL16296991

CN1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 1.00
MITF O75030 5/20 1.00
MAPT P10636 10/20 0.73
GAA P10253 6/20 0.73
MAPK1 P28482 5/20 0.73
L3MBTL1 Q9Y468 5/20 0.73
KDM4E B2RXH2 1/20 0.73
POLB P06746 1/20 0.73
RAB9A P51151 1/20 0.72
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
HTT P42858 2/20 0.62
NSD2 O96028 1/20 0.62
LMNA P02545 2/20 0.61
NR4A1 P22736 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57

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
SCHEMBL16296653 0.90 APAF1 (0.82) APAF1MITFMAPTGAAMAPK1
SCHEMBL16297097 0.86 MAPT (0.81) APAF1MITFMAPTGAAMAPK1
SCHEMBL16296794 0.84 APAF1 (0.73) APAF1MITFMAPTGAAMAPK1
SCHEMBL16297068 0.84 MAPT (1.00) APAF1MITFMAPTGAAMAPK1
SCHEMBL16296922 0.81 MAPT (0.74) APAF1MITFMAPTGAAMAPK1
SCHEMBL16297025 0.80 MEN1 (0.78) APAF1MITFMAPTGAAMAPK1
SCHEMBL16296707 0.80 MAPT (0.72) APAF1MITFMAPTGAAMAPK1
SCHEMBL2241458 0.78 APAF1 (0.63) APAF1MITFMAPTGAAMAPK1
SCHEMBL16296902 0.77 MEN1 (1.00) APAF1MITFMAPTGAAMAPK1
SCHEMBL19628204 0.77 APAF1 (0.62) APAF1MITFMAPTGAAMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF UNIVERSITY OF KANSAS 2022-04-28 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
EP-3007688-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY The General Hospital Corporation (US) 2016-04-20 EP disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 WO disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 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 (3 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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR APAF1 2437/4885MITF 1/4885MAPT 4100/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR APAF1 2521/4885MITF 1/4885MAPT 4092/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 APAF1 1675/4885MITF 586/4885MAPT 3766/4885

“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.