SCHEMBL7956944

SCHEMBL7956944

O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 1.00
HSP90AB1 P08238 7/20 1.00
KMT2A Q03164 4/20 0.81
HKDC1 Q2TB90 3/20 0.81
MEN1 O00255 3/20 0.81
ATM Q13315 3/20 0.81
PABPC1 P11940 1/20 0.81
CCR6 P51684 1/20 0.81
MAPT P10636 6/20 0.67
MAPK1 P28482 6/20 0.67
HTT P42858 6/20 0.67
APAF1 O14727 3/20 0.67
MITF O75030 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
POLB P06746 1/20 0.67
CDC25A P30304 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
RAB9A P51151 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59

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
SCHEMBL14669410 0.90 HSP90AA1 (0.82) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL9702171 0.90 HKDC1 (1.00) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL19625589 0.88 HSP90AA1 (0.78) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL16296749 0.88 HSP90AA1 (0.78) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL21779251 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL18425602 0.84 HSP90AA1 (0.72) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL16297016 0.80 HSP90AA1 (0.67) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL6190569 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL31087717 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1KMT2AHKDC1MEN1
SCHEMBL16296885 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1KMT2AHKDC1MEN1

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 17 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-6174918-B1 INHIBITING TUMOR CELL GROWTH SENSITIVE TO NAPHTHOQUINONE DERIVATIVE IN MAMMAL BY ADMINISTERING 2,3-DISUBSTITUTED NAPHTHOQUINONE COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US disclosed
CN-1206403-A Naphthoquinone antitumor compounds and methods UNIV NORTH CAROLINA CHAPEL HILL (US) 1999-01-27 CN disclosed
US-5789431-A INHIBITING CELL TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-08-04 US disclosed
WO-1997030022-A1 NAPHTHOQUINONE ANTITUMOR COMPOUND AND METHOD THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-08-21 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 HSP90AA1 2413/4885HSP90AB1 1684/4885KMT2A 2018/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR HSP90AA1 2375/4885HSP90AB1 1696/4885KMT2A 2146/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 HSP90AA1 952/4885HSP90AB1 733/4885KMT2A 1107/4885

“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.