SCHEMBL16296988

SCHEMBL16296988

CC(C)N1CCN(C2=C(Nc3ccc(F)cc3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 13/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ MAPT P10636 13/20 0.56
▸ ALDH1A1 P00352 10/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ POLB P06746 5/20 0.56
▸ HTT P42858 4/20 0.56
▸ MITF O75030 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ KLF5 Q13887 1/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ HPGD P15428 1/20 0.56
▸ GAA P10253 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ SENP8 Q96LD8 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ SENP6 Q9GZR1 2/20 0.52

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
SCHEMBL16296645 0.88 APAF1 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297001 0.88 APAF1 (0.58) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296685 0.87 APAF1 (0.61) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7246128 0.85 MAPT (0.76) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296987 0.85 MAPT (0.56) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296647 0.85 MAPT (0.49) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296946 0.84 MAPT (0.79) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16296795 0.84 APAF1 (0.61) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297042 0.82 APAF1 (0.52) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL16297072 0.80 APAF1 (0.55) 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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