SCHEMBL563348

SCHEMBL563348

N=C(N)c1ccc2occc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.53
F10 P00742 1/20 0.53
PRMT1 Q99873 5/20 0.51
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
F12 P00748 1/20 0.48
HTR1B P28222 1/20 0.47
IDO1 P14902 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
SCHEMBL27673632 0.85 PRMT1 (0.53) F2F10PRMT1PLGPLAU
SCHEMBL3441414 0.81 AR (0.61) CTNNB1WNT3AHTR1BIDO1
SCHEMBL1875949 0.78 IDO1 (0.47) CTNNB1WNT3AHTR1BIDO1
SCHEMBL1875948 0.78 IDO1 (0.54) CTNNB1WNT3AHTR1BIDO1
SCHEMBL15632598 0.77 CTNNB1 (0.48) CTNNB1WNT3AHTR1BIDO1
SCHEMBL16617148 0.76 CTNNB1 (0.54) CTNNB1WNT3AHTR1BIDO1
SCHEMBL926708 0.75 DYRK1A (0.48) F2F10PLGPLAUKLK1
SCHEMBL29987426 0.74 CTNNB1 (0.63) CTNNB1WNT3AHTR1BIDO1
SCHEMBL4318315 0.74 CTNNB1 (0.58) CTNNB1WNT3AHTR1BIDO1
SCHEMBL663873 0.74 CTNNB1 (0.63) CTNNB1WNT3AHTR1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914188-A Cationic substituted benzofurans as antimicrobial agents UNIV NORTH CAROLINA (US) 2007-02-14 CN claimed
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
CN-1914188-A Cationic substituted benzofurans as antimicrobial agents UNIV NORTH CAROLINA (US) 2007-02-14 CN disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors REMPEX PHARMACEUTICALS, INC. 2006-12-07 US disclosed
US-7109326-B2 Halo-alkoxycarbonyl prodrugs GENENTECH, INC. (US) 2006-09-19 US disclosed
EP-0975608-B1 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH INC (US) 2005-06-15 EP disclosed
US-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs GENENTECH, INC. 2004-11-04 US disclosed
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. 2001-09-06 US disclosed
EP-0975608-A2 HALO-ALKOXYCARBONYL PRODRUGS Genentech, Inc. (US) 2000-02-02 EP disclosed
WO-1998046576-A2 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. (US) 1998-10-22 WO disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 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 (7 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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L F2 4102/4885F10 3465/4885PRMT1 1610/4885
US-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs PNP, PAICS, PHOSPHO1 F2 4407/4885F10 4252/4885PRMT1 3743/4885
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors ABCB11, ABCC1, ABCB1 F2 4870/4885F10 4613/4885PRMT1 4111/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L F2 4102/4885F10 3465/4885PRMT1 1610/4885
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 F2 4843/4885F10 3948/4885PRMT1 4691/4885
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS PNP, PAICS, PHOSPHO1 F2 4407/4885F10 4252/4885PRMT1 3743/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN F2 3712/4885F10 2178/4885PRMT1 194/4885

“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.