SCHEMBL16297042

SCHEMBL16297042

CC(C)N1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 13/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MAPT P10636 13/20 0.50
▸ ALDH1A1 P00352 11/20 0.50
▸ L3MBTL1 Q9Y468 6/20 0.50
▸ HTT P42858 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ MITF O75030 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ GAA P10253 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ NSD2 O96028 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CDC25A P30304 1/20 0.47

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
SCHEMBL16296711 0.88 NSD2 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297001 0.87 APAF1 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297004 0.87 MAPT (0.67) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296931 0.86 MAPT (0.55) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297036 0.85 APAF1 (0.57) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296645 0.82 APAF1 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296988 0.82 APAF1 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297072 0.81 APAF1 (0.55) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296987 0.80 MAPT (0.56) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL19625608 0.79 APAF1 (0.67) APAF1RAB9ANPC1MAPTALDH1A1

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

“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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