SCHEMBL498449

SCHEMBL498449

COc1ccc(N)c2c1C(=O)c1c(N)ccc(OC)c1C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
MAPT P10636 5/20 0.76
THRB P10828 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
MAPK1 P28482 2/20 0.76
RAB9A P51151 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
ADORA2A P29274 2/20 0.76
FGB P02675 1/20 0.76
POLB P06746 1/20 0.76
PPARG P37231 1/20 0.76
NCOA2 Q15596 1/20 0.76
NCOA1 Q15788 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
S1PR4 O95977 1/20 0.57
HSP90AA1 P07900 1/20 0.57
G6PD P11413 1/20 0.57

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
SCHEMBL498594 1.00 ALDH1A1 (0.76) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL11243983 1.00 ALDH1A1 (0.76) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL2303569 0.87 MAPT (1.00) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL498666 0.86 MEN1 (0.79) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL11134106 0.86 MAPT (0.73) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL11690019 0.80 MAPT (0.59) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL11246302 0.79 ALDH1A1 (0.66) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL3909101 0.79 MAPT (0.64) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL29390741 0.78 THRB (1.00) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL125495 0.78 THRB (1.00) ALDH1A1MAPTTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 EP disclosed
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2016-07-21 US disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 US disclosed
US-8968715-B2 Drug delivery systems for photodynamic therapy THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-03 US disclosed
US-8852629-B2 Drug delivery system for hydrophobic drugs VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2014-10-07 US disclosed
US-8211656-B2 Biological targeting compositions and methods of using the same THE INVENTION SCIENCE FUND I, LLC (US) 2012-07-03 US disclosed
EP-1357912-B9 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-06-13 EP disclosed
US-20120134975-A1 Biological targeting compositions and methods of using the same SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2012-05-31 US disclosed
EP-1357912-B1 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-04-25 EP disclosed
US-20120041356-A1 PHOTODYNAMIC THERAPY FOR CONDITIONS OF THE EYE QLT INC. (CA) 2012-02-16 US disclosed
US-20020156062-A1 Drug delivery system for hydrophobic drugs BAUSCH HEALTH COMPANIES INC. (CA) 2002-10-24 US disclosed
WO-2002064163-A2 REDUCTION OR PREVENTION OF PDT RELATED INFLAMMATION QLT INC. (CA) 2002-08-22 WO disclosed
WO-2002062386-A2 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QLT INC. (CA) 2002-08-15 WO disclosed
WO-2002062384-A2 REDUCED FLUENCE RATE PDT QLT INC. (CA) 2002-08-15 WO disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 US disclosed
WO-2001085212-A2 DRUG DELIVERY SYSTEMS FOR PHOTODYNAMIC THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 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 (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-20020156062-A1 Drug delivery system for hydrophobic drugs LIPA, MLEC, ABCG2 ALDH1A1 2604/4885MAPT 292/4885THRB 2025/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA ALDH1A1 371/4885MAPT 1710/4885THRB 4789/4885
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER CUTA, POLR1C, PUF60 ALDH1A1 1405/4885MAPT 541/4885THRB 4133/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 ALDH1A1 794/4885MAPT 1243/4885THRB 2124/4885

“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.