SCHEMBL7246128

SCHEMBL7246128

O=C1C(Nc2ccc(F)cc2)=C(N2CCCC2)C(=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.76
▸ APAF1 O14727 13/20 0.76
▸ ALDH1A1 P00352 11/20 0.76
▸ HTT P42858 6/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.76
▸ POLB P06746 5/20 0.76
▸ NPC1 O15118 4/20 0.76
▸ LMNA P02545 4/20 0.76
▸ MITF O75030 2/20 0.76
▸ KLF5 Q13887 1/20 0.76
▸ RAB9A P51151 4/20 0.73
▸ CDC25A P30304 1/20 0.64
▸ CDC25B P30305 1/20 0.64
▸ L3MBTL1 Q9Y468 6/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ GAA P10253 5/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ NSD2 O96028 2/20 0.61
▸ MAPK1 P28482 4/20 0.60

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
SCHEMBL16296946 0.99 MAPT (0.79) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL7247303 0.88 MAPT (0.97) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL16296685 0.88 APAF1 (0.61) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL16297187 0.87 APAF1 (1.00) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL4872810 0.86 MAPT (0.76) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL7247910 0.86 APAF1 (0.76) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL4874221 0.86 APAF1 (0.97) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL16297041 0.86 MAPT (0.76) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL16296988 0.85 APAF1 (0.58) MAPTAPAF1ALDH1A1HTTSMN1; SMN2
SCHEMBL7246028 0.85 MAPT (0.67) MAPTAPAF1ALDH1A1HTTSMN1; 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 15 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
US-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases STURGESS MICHAEL ALAN (US) 2003-12-18 — — US disclosed
US-6630589-B1 Screening assays for compounds that are potentially useful for treating or preventing a proliferative disease. The assays are based on contacting a candidate compound with a cell containing a nucleic acid including a HER2 regulatory element MESSAGE PHARMACEUTICALS 2003-10-07 — — US 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 (4 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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases PCNA, TP53, MKI67 MAPT 3220/4885APAF1 1727/4885ALDH1A1 3245/4885
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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