SCHEMBL16296902

SCHEMBL16296902

O=C1C(NS(=O)(=O)c2ccc(Br)cc2)=C(N2CCCCC2)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
NSD2 O96028 1/20 1.00
MAPT P10636 9/20 0.78
APAF1 O14727 8/20 0.78
MAPK1 P28482 6/20 0.78
GAA P10253 5/20 0.78
L3MBTL1 Q9Y468 5/20 0.78
ALDH1A1 P00352 5/20 0.78
HTT P42858 3/20 0.78
MITF O75030 6/20 0.73
POLB P06746 3/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 1/20 0.56
KLF5 Q13887 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL16297097 0.90 MAPT (0.81) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16297025 0.88 MEN1 (0.78) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296852 0.88 MEN1 (0.78) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296824 0.88 MEN1 (0.78) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296653 0.88 APAF1 (0.82) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296848 0.82 APAF1 (0.79) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16297080 0.80 MEN1 (0.66) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16297049 0.78 MAPT (0.80) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296991 0.77 APAF1 (1.00) MEN1KMT2ANSD2MAPTAPAF1
SCHEMBL16296794 0.77 APAF1 (0.73) MEN1KMT2ANSD2MAPTAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MEN1 1616/4885KMT2A 2018/4885NSD2 1800/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MEN1 1568/4885KMT2A 2146/4885NSD2 1872/4885

“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.