SCHEMBL16297222

SCHEMBL16297222

COc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 10/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ RAB9A P51151 4/20 0.74
▸ MAPT P10636 13/20 0.73
▸ ALDH1A1 P00352 11/20 0.73
▸ SMN1; SMN2 Q16637 6/20 0.73
▸ HTT P42858 6/20 0.73
▸ POLB P06746 5/20 0.73
▸ LMNA P02545 4/20 0.73
▸ MITF O75030 1/20 0.73
▸ KLF5 Q13887 1/20 0.73
▸ CDC25A P30304 2/20 0.72
▸ CDC25B P30305 2/20 0.72
▸ MAPK1 P28482 4/20 0.68
▸ PTBP1 P26599 1/20 0.68
▸ L3MBTL1 Q9Y468 7/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ NSD2 O96028 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60

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
SCHEMBL7243360 0.99 APAF1 (0.72) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16297021 0.89 MAPT (0.59) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL2462507 0.86 APAF1 (0.69) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296987 0.86 MAPT (0.56) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16296859 0.85 APAF1 (0.58) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL5807881 0.85 APAF1 (1.00) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL2462511 0.85 MAPT (0.67) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL16297187 0.85 APAF1 (1.00) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL4874221 0.84 APAF1 (0.97) APAF1NPC1RAB9AMAPTALDH1A1
SCHEMBL7247303 0.83 MAPT (0.97) APAF1NPC1RAB9AMAPTALDH1A1

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 2437/4885NPC1 2581/4885RAB9A 805/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR APAF1 2521/4885NPC1 2867/4885RAB9A 746/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 APAF1 1675/4885NPC1 3149/4885RAB9A 1566/4885

“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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