SCHEMBL16296702

SCHEMBL16296702

CN1CCN(C2=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 4/20 0.62
▸ TDP2 O95551 1/20 0.62
▸ PLA2G1B P04054 1/20 0.62
▸ ATG4B Q9Y4P1 1/20 0.62
▸ APAF1 O14727 11/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ MAPT P10636 13/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ HTT P42858 6/20 0.59
▸ MITF O75030 5/20 0.59
▸ POLB P06746 5/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KLF5 Q13887 1/20 0.59
▸ L3MBTL1 Q9Y468 7/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ GAA P10253 4/20 0.54
▸ CDC25A P30304 1/20 0.54

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
SCHEMBL16296922 0.89 MAPT (0.74) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16297041 0.88 MAPT (0.76) NSD2APAF1RAB9ANPC1MAPT
SCHEMBL16297001 0.87 APAF1 (0.58) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16297252 0.87 APAF1 (0.61) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16297225 0.87 APAF1 (0.61) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16296685 0.87 APAF1 (0.61) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16296652 0.86 MAPT (0.79) NSD2APAF1RAB9ANPC1MAPT
SCHEMBL16297035 0.86 NSD2 (0.58) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL16296711 0.86 NSD2 (0.58) NSD2TDP2PLA2G1BATG4BAPAF1
SCHEMBL19625607 0.86 APAF1 (0.61) NSD2TDP2PLA2G1BATG4BAPAF1

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 NSD2 1800/4885TDP2 3295/4885PLA2G1B 4015/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR NSD2 1872/4885TDP2 3323/4885PLA2G1B 4019/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 NSD2 535/4885TDP2 3156/4885PLA2G1B 3433/4885

“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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