SCHEMBL16296770

SCHEMBL16296770

CN1CCN(C2=C(Nc3ccc(F)cc3F)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 9/20 0.53
▸ MITF O75030 4/20 0.53
▸ MAPT P10636 10/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HTT P42858 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ PTBP1 P26599 1/20 0.51
▸ NSD2 O96028 2/20 0.49
▸ TDP2 O95551 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KLF5 Q13887 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ MAPK14 Q16539 2/20 0.46

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
SCHEMBL16296827 0.89 MAPT (0.60) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16296647 0.89 MAPT (0.49) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16296858 0.88 MAPT (0.62) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16297077 0.88 APAF1 (0.55) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16296685 0.84 APAF1 (0.61) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL19625606 0.80 MAPT (0.61) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16296922 0.79 MAPT (0.74) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16297225 0.74 APAF1 (0.61) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16296702 0.74 NSD2 (0.62) APAF1MITFMAPTALDH1A1RAB9A
SCHEMBL16297252 0.74 APAF1 (0.61) APAF1MITFMAPTALDH1A1RAB9A

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 2437/4885MITF 1/4885MAPT 4100/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR APAF1 2521/4885MITF 1/4885MAPT 4092/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 APAF1 1675/4885MITF 586/4885MAPT 3766/4885

“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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