SCHEMBL16296647

SCHEMBL16296647

CC(C)N1CCN(C2=C(Nc3ccc(F)cc3F)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.49
▸ APAF1 O14727 10/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HTT P42858 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ PTBP1 P26599 1/20 0.49
▸ POLB P06746 3/20 0.45
▸ MITF O75030 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.45
▸ GAA P10253 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43

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
SCHEMBL16296770 0.89 APAF1 (0.53) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16296827 0.87 MAPT (0.60) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16296858 0.86 MAPT (0.62) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16297077 0.86 APAF1 (0.55) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16296988 0.85 APAF1 (0.58) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19625606 0.78 MAPT (0.61) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16297001 0.75 APAF1 (0.58) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16296645 0.75 APAF1 (0.58) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16297072 0.75 APAF1 (0.55) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16297042 0.75 APAF1 (0.52) MAPTAPAF1ALDH1A1RAB9ASMN1; SMN2

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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