SCHEMBL16296982

SCHEMBL16296982

O=C(NC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.67
▸ APAF1 O14727 8/20 0.67
▸ ALDH1A1 P00352 7/20 0.67
▸ POLB P06746 6/20 0.67
▸ KDM4E B2RXH2 5/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ GAA P10253 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ SENP8 Q96LD8 1/20 0.62
▸ SENP7 Q9BQF6 1/20 0.62
▸ SENP6 Q9GZR1 1/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HSP90AA1 P07900 3/20 0.53
▸ HSP90AB1 P08238 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ ATM Q13315 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP2 O95551 2/20 0.51
▸ NPC1 O15118 5/20 0.51

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
SCHEMBL16296962 0.90 MAPT (0.61) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL19625600 0.90 MAPT (0.69) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16297161 0.88 HSP90AA1 (0.55) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16297112 0.87 APAF1 (0.64) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16297152 0.85 APAF1 (0.60) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16297013 0.85 HSP90AA1 (0.53) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16296978 0.81 APAF1 (0.63) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16297010 0.80 MAPT (0.80) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL19625603 0.78 APAF1 (0.67) MAPTAPAF1ALDH1A1POLBKDM4E
SCHEMBL16296727 0.78 KMT2A (0.62) MAPTAPAF1ALDH1A1POLBKDM4E

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 MAPT 4100/4885APAF1 2437/4885ALDH1A1 2501/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MAPT 4092/4885APAF1 2521/4885ALDH1A1 2444/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 MAPT 3766/4885APAF1 1675/4885ALDH1A1 287/4885

“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.

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