SCHEMBL1645880

SCHEMBL1645880

O=c1cc(-c2ccncc2)oc2cccc(CO)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.50
CYP3A4 P08684 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1B1 Q16678 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
FTO Q9C0B1 1/20 0.50
QPCT Q16769 1/20 0.50
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
RAF1 P04049 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL28044360 0.87 CYP3A4 (0.66) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL9205457 0.81 AR (0.75) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL4183286 0.78 AHR (0.61) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL1645772 0.78 AR (0.54) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL9843878 0.77 AR (0.44) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL9200343 0.77 BCHE (0.54) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL311277 0.76 TNKS (0.75) ARCYP3A4MAPTCYP1B1CYP1A1
Water SCHEMBL11654213 0.74 GPR35 (0.59) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL312583 0.72 AR (0.61) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL7087329 0.71 CYP1A2 (0.56) CYP3A4MAPTMEN1KMT2ACYP1B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314295-B1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX INC (CA) 2015-01-28 EP disclosed
EP-2314295-B1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX INC (CA) 2015-01-28 EP disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
EP-2314295-A1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices Resverlogix, Inc (CA) 2011-04-27 EP disclosed
EP-2314295-A1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices Resverlogix, Inc (CA) 2011-04-27 EP disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US disclosed
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 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 (1 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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 AR 4083/4885CYP3A4 3630/4885MAPT 2293/4885

“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.