SCHEMBL16296974

SCHEMBL16296974

CCN1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 11/20 0.62
▸ MITF O75030 4/20 0.62
▸ MAPT P10636 11/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ GAA P10253 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NSD2 O96028 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ POLB P06746 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 1/20 0.46
▸ CDC25A P30304 1/20 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
SCHEMBL16297105 0.87 APAF1 (0.57) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297063 0.87 APAF1 (0.72) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297168 0.87 APAF1 (0.70) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16296955 0.86 APAF1 (0.57) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297241 0.86 APAF1 (0.71) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297072 0.85 APAF1 (0.55) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16296842 0.84 APAF1 (0.73) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297036 0.82 APAF1 (0.57) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL24355094 0.81 MITF (0.73) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16296795 0.80 APAF1 (0.61) APAF1MITFMAPTALDH1A1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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

“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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