SCHEMBL16296955

SCHEMBL16296955

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 10/20 0.57
▸ MITF O75030 3/20 0.55
▸ MAPT P10636 11/20 0.54
▸ ALDH1A1 P00352 8/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ L3MBTL1 Q9Y468 5/20 0.54
▸ HTT P42858 4/20 0.54
▸ GAA P10253 4/20 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 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ DHODH Q02127 1/20 0.48

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
SCHEMBL16297035 0.87 NSD2 (0.58) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL19625607 0.87 APAF1 (0.61) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297168 0.87 APAF1 (0.70) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16296974 0.86 APAF1 (0.62) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297036 0.86 APAF1 (0.57) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297270 0.86 MAPT (0.71) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16296931 0.85 MAPT (0.55) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL16297028 0.84 MAPT (0.73) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL2464460 0.82 MAPT (0.70) APAF1MITFMAPTALDH1A1SMN1; SMN2
SCHEMBL24355094 0.81 MITF (0.73) 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 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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