Methoxsalen

Methoxsalen

SCHEMBL2302069

COc1c2occc2cc2ccc(=O)oc12.COc1c2occc2cc2ccc(=O)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 1.00
MAOA P21397 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2A6 P11509 2/20 1.00
MAPK1 P28482 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2D6 P10635 1/20 1.00
TSHR P16473 1/20 1.00
ACHE P22303 1/20 1.00
PDE4A P27815 1/20 1.00
SLC6A3 Q01959 1/20 1.00
CYP2A13 Q16696 1/20 1.00
KDM4E B2RXH2 6/20 0.69
HSD17B10 Q99714 4/20 0.69
POLB P06746 2/20 0.69
MAPT P10636 2/20 0.69
MAOB P27338 1/20 0.65
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
CA9 Q16790 5/20 0.62

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
Methoxsalen SCHEMBL29376525 1.00 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2A6MAPK1
Methoxsalen SCHEMBL19168 1.00 CYP3A4 (1.00) CYP3A4MAOACYP1A2CYP2A6MAPK1
Methoxsalen SCHEMBL6142553 0.98 CYP3A4 (0.97) CYP3A4MAOACYP1A2CYP2A6MAPK1
Methoxsalen SCHEMBL9387169 0.93 CYP3A4 (0.86) CYP3A4MAOACYP1A2CYP2A6MAPK1
Methoxsalen SCHEMBL10572509 0.92 CYP3A4 (0.84) CYP3A4MAOACYP1A2CYP2A6MAPK1
Methoxsalen SCHEMBL598765 0.90 CYP3A4 (0.82) CYP3A4MAOACYP1A2CYP2A6MAPK1
Bergapten SCHEMBL9792363 0.86 CYP3A4 (0.74) CYP3A4MAOACYP1A2CYP2A6MAPK1
SCHEMBL7781220 0.84 CYP3A4 (0.72) CYP3A4MAOACYP1A2CYP2A6MAPK1
SCHEMBL18788583 0.83 CYP3A4 (0.71) CYP3A4MAOACYP1A2CYP2A6MAPK1
SCHEMBL13660657 0.83 CYP3A4 (0.71) CYP3A4MAOACYP1A2CYP2A6MAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11260129-B2 Phosphor-containing drug activator, suspension thereof, system containing the suspension, and methods for use IMMUNOLIGHT, LLC (US) 2022-03-01 US disclosed
US-20200282056-A1 PHOSPHOR-CONTAINING DRUG ACTIVATOR, SUSPENSION THEREOF, SYSTEM CONTAINING THE SUSPENSION, AND METHODS FOR USE IMMUNOLIGHT, LLC (US) 2020-09-10 US disclosed
EP-3534905-A1 SMALL MOLECULE DUAL INHIBITORS OF EGFR/PI3K AND USES THEREOF The Regents of The University of Michigan (US) 2019-09-11 EP disclosed
WO-2018081719-A1 SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-05-03 WO disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
WO-2017165663-A1 BIOMARKERS FOR CANCER ASSOCIATED WITH HEDGEHOG PATHWAY ACTIVITY AND RELATED USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-28 WO disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
EP-2911748-A1 CANCER STEM CELL VACCINATION AND TREATMENT The Regents Of The University Of Michigan (US) 2015-09-02 EP disclosed
WO-2014134038-A1 COMPOSITIONS AND METHODS RELATING TO INDUCTION OF INTESTINAL STEM CELL HOMEOGENESIS AND/OR REGENERATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-04 WO disclosed
WO-2014066615-A1 CANCER STEM CELL VACCINATION AND TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-01 WO disclosed
EP-2536741-A2 GENE FUSION TARGETED THERAPY The Regents of The University of Michigan (US) 2012-12-26 EP disclosed
EP-2536431-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET The Regents of The University of Michigan (US) 2012-12-26 EP disclosed
WO-2011103011-A2 GENE FUSION TARGETED THERAPY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
WO-2011103028-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
US-5985914-A ANTIINFLAMMATORY AGENTS THERAKOS, INC. (US) 1999-11-16 US disclosed
US-5925034-A Method and apparatus for determination of psoralen concentrations in biological tissues SISTERS OF PROVIDENCE IN OREGON (US) 1999-07-20 US disclosed
US-5925034-A Method and apparatus for determination of psoralen concentrations in biological tissues SISTERS OF PROVIDENCE IN OREGON (US) 1999-07-20 US disclosed
US-5832931-A Method for improved selectivity in photo-activation and detection of molecular diagnostic agents PHOTOGEN, INC. (US) 1998-11-10 US disclosed
US-5829448-A ANTITUMOR PHOTOGEN, INC. (US) 1998-11-03 US disclosed